<?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">6.2.1</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">16May21 (build Jun 30 2023 17:28:47) complex</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="2.12310521"
                        xFract="0.25155275"
                        y3="6.32027898"
                        yFract="0.74884822"
                        z3="9.43017289"
                        zFract="0.42440022"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="4.22565995"
                        xFract="0.50067061"
                        y3="6.32206083"
                        yFract="0.74905934"
                        z3="4.24198665"
                        zFract="0.19090849"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="0.0057641"
                        xFract="0.00068295"
                        y3="6.31221624"
                        yFract="0.74789292"
                        z3="8.39912289"
                        zFract="0.37799833"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.31271902"
                        xFract="0.74795249"
                        y3="4.220969"
                        yFract="0.50011481"
                        z3="4.21389257"
                        zFract="0.18964413"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="6.3205721"
                        xFract="0.74888295"
                        y3="6.310067"
                        yFract="0.74763827"
                        z3="6.33610899"
                        zFract="0.28515342"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="6.319094"
                        xFract="0.74870782"
                        y3="4.22153178"
                        yFract="0.50018149"
                        z3="8.47973016"
                        zFract="0.38162602"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="8.42100544"
                        xFract="0.99774946"
                        y3="2.11504948"
                        yFract="0.25059828"
                        z3="4.23518155"
                        zFract="0.19060223"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="4.20471685"
                        xFract="0.4981892"
                        y3="2.06567447"
                        yFract="0.24474816"
                        z3="4.2537117"
                        zFract="0.19143617"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.2425056"
                        xFract="0.50266654"
                        y3="6.31114774"
                        yFract="0.74776632"
                        z3="8.43885781"
                        zFract="0.37978658"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="6.32134588"
                        xFract="0.74897463"
                        y3="8.41509449"
                        yFract="0.99704911"
                        z3="8.43758793"
                        zFract="0.37972943"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.12927375"
                        xFract="0.25228362"
                        y3="2.09979199"
                        yFract="0.24879052"
                        z3="6.32869707"
                        zFract="0.28481985"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.11391658"
                        xFract="0.25046405"
                        y3="4.22981218"
                        yFract="0.50116258"
                        z3="8.44409995"
                        zFract="0.3800225"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.12784427"
                        xFract="0.25211425"
                        y3="6.34381485"
                        yFract="0.75163683"
                        z3="6.32104294"
                        zFract="0.28447538"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="8.4301663"
                        xFract="0.99883487"
                        y3="2.1174775"
                        yFract="0.25088596"
                        z3="8.44724963"
                        zFract="0.38016425"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="8.40330145"
                        xFract="0.99565183"
                        y3="4.23495239"
                        yFract="0.50177161"
                        z3="6.36099984"
                        zFract="0.28627362"/>
                  <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="2.12244292"
                        xFract="0.25147428"
                        y3="0.00228209"
                        yFract="0.00027039"
                        z3="4.19177034"
                        zFract="0.18864853"/>
                  <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="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.22787114"
                        xFract="0.5009326"
                        y3="4.21000189"
                        yFract="0.49881539"
                        z3="6.39612099"
                        zFract="0.28785423"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="0.01181549"
                        xFract="0.00139994"
                        y3="6.3541898"
                        yFract="0.75286609"
                        z3="4.19330596"
                        zFract="0.18871764"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.21314588"
                        xFract="0.4991879"
                        y3="8.42955136"
                        yFract="0.99876201"
                        z3="6.35574436"
                        zFract="0.2860371"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.33118877"
                        xFract="0.75014085"
                        y3="8.43505137"
                        yFract="0.99941367"
                        z3="4.22853955"
                        zFract="0.19030331"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.22466985"
                        xFract="0.5005533"
                        y3="2.10651133"
                        yFract="0.24958665"
                        z3="8.55017379"
                        zFract="0.3847963"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="2.09980904"
                        xFract="0.24879254"
                        y3="4.22924087"
                        yFract="0.50109489"
                        z3="4.25030648"
                        zFract="0.19128292"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="0.00578554"
                        xFract="0.00068549"
                        y3="8.43880532"
                        yFract="0.99985845"
                        z3="6.36565004"
                        zFract="0.2864829"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.13990587"
                        xFract="0.25354335"
                        y3="8.42184033"
                        yFract="0.99784838"
                        z3="8.50297162"
                        zFract="0.38267199"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="6.30270445"
                        xFract="0.74676593"
                        y3="2.11697085"
                        yFract="0.25082593"
                        z3="6.37957909"
                        zFract="0.28710977"/>
                  <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="0.01012294"
                        xFract="0.0011994"
                        y3="2.13422187"
                        yFract="0.25286989"
                        z3="6.34151778"
                        zFract="0.28539684"/>
                  <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="2.14256473"
                        xFract="0.25385838"
                        y3="0.00337912"
                        yFract="0.00040037"
                        z3="6.27939244"
                        zFract="0.28260092"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="8.3645237"
                        xFract="0.99105731"
                        y3="0.09364526"
                        yFract="0.01109541"
                        z3="4.23990819"
                        zFract="0.19081495"/>
                  <atom elementType="O"
                        id="a48"
                        x3="8.42660665"
                        xFract="0.99841311"
                        y3="8.43720678"
                        yFract="0.99966905"
                        z3="8.49745906"
                        zFract="0.3824239"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.10449737"
                        xFract="0.24934803"
                        y3="2.20725252"
                        yFract="0.26152281"
                        z3="4.19972221"
                        zFract="0.1890064"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.0897635"
                        xFract="0.24760231"
                        y3="2.11478075"
                        yFract="0.25056644"
                        z3="8.47793323"
                        zFract="0.38154515"/>
                  <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="4.20401329"
                        xFract="0.49810584"
                        y3="2.11302228"
                        yFract="0.25035809"
                        z3="6.30819134"
                        zFract="0.283897"/>
                  <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="6.28262577"
                        xFract="0.74438694"
                        y3="8.40616336"
                        yFract="0.99599092"
                        z3="6.34736676"
                        zFract="0.28566007"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.30747148"
                        xFract="0.51036392"
                        y3="8.42792641"
                        yFract="0.99856948"
                        z3="4.17228184"
                        zFract="0.18777146"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.24613674"
                        xFract="0.50309677"
                        y3="8.40709885"
                        yFract="0.99610176"
                        z3="8.66861105"
                        zFract="0.39012651"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.31439174"
                        xFract="0.74815068"
                        y3="2.27582541"
                        yFract="0.26964756"
                        z3="4.18015394"
                        zFract="0.18812574"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.34470535"
                        xFract="0.75174234"
                        y3="2.08688765"
                        yFract="0.24726157"
                        z3="8.52831886"
                        zFract="0.38381273"/>
                  <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="0.00158486"
                        xFract="0.00018778"
                        y3="6.32001759"
                        yFract="0.74881725"
                        z3="6.28847153"
                        zFract="0.28300952"/>
                  <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="2.06281204"
                        xFract="0.24440901"
                        y3="4.21755814"
                        yFract="0.49971068"
                        z3="6.37155434"
                        zFract="0.28674862"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="8.30635758"
                        xFract="0.98416559"
                        y3="4.15883946"
                        yFract="0.49275349"
                        z3="4.26427153"
                        zFract="0.19191141"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.00349796"
                        xFract="0.00041445"
                        y3="4.21838543"
                        yFract="0.4998087"
                        z3="8.46995225"
                        zFract="0.38118597"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.19867967"
                        xFract="0.26050707"
                        y3="6.25100523"
                        yFract="0.74064043"
                        z3="4.23669051"
                        zFract="0.19067014"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.12310521"
                        xFract="0.25155275"
                        y3="6.32027898"
                        yFract="0.74884822"
                        z3="8.43027289"
                        zFract="0.37940022"/>
                  <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="4.23103522"
                        xFract="0.50130749"
                        y3="6.3080614"
                        yFract="0.74740064"
                        z3="6.33522441"
                        zFract="0.28511361"/>
                  <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="6.33590243"
                        xFract="0.75069934"
                        y3="4.24808376"
                        yFract="0.50332746"
                        z3="6.41691624"
                        zFract="0.28879011"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.34662389"
                        xFract="0.51500283"
                        y3="4.20720521"
                        yFract="0.49848403"
                        z3="4.20445529"
                        zFract="0.18921941"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.21449872"
                        xFract="0.49934819"
                        y3="4.22854685"
                        yFract="0.50101266"
                        z3="8.64634172"
                        zFract="0.38912429"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.26188878"
                        xFract="0.74192995"
                        y3="6.17053329"
                        yFract="0.73110584"
                        z3="4.26352427"
                        zFract="0.19187778"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.35013463"
                        xFract="0.75238562"
                        y3="6.32310275"
                        yFract="0.74918279"
                        z3="8.42254633"
                        zFract="0.37905249"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a71" order="S"/>
                  <bond atomRefs2="a2 a44" order="S"/>
                  <bond atomRefs2="a2 a49" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a2 a50" order="S"/>
                  <bond atomRefs2="a2 a64" order="S"/>
                  <bond atomRefs2="a2 a52" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a3 a73" order="S"/>
                  <bond atomRefs2="a3 a57" order="S"/>
                  <bond atomRefs2="a3 a77" order="S"/>
                  <bond atomRefs2="a3 a70" order="S"/>
                  <bond atomRefs2="a4 a63" order="S"/>
                  <bond atomRefs2="a4 a71" order="S"/>
                  <bond atomRefs2="a4 a68" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a80" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a5 a77" order="S"/>
                  <bond atomRefs2="a5 a67" order="S"/>
                  <bond atomRefs2="a6 a52" order="S"/>
                  <bond atomRefs2="a6 a76" order="S"/>
                  <bond atomRefs2="a6 a56" order="S"/>
                  <bond atomRefs2="a6 a59" order="S"/>
                  <bond atomRefs2="a6 a49" order="S"/>
                  <bond atomRefs2="a7 a74" order="S"/>
                  <bond atomRefs2="a7 a60" order="S"/>
                  <bond atomRefs2="a7 a54" order="S"/>
                  <bond atomRefs2="a7 a59" order="S"/>
                  <bond atomRefs2="a7 a52" order="S"/>
                  <bond atomRefs2="a8 a55" order="S"/>
                  <bond atomRefs2="a8 a81" order="S"/>
                  <bond atomRefs2="a8 a75" order="S"/>
                  <bond atomRefs2="a8 a80" order="S"/>
                  <bond atomRefs2="a8 a73" order="S"/>
                  <bond atomRefs2="a9 a81" order="S"/>
                  <bond atomRefs2="a9 a75" order="S"/>
                  <bond atomRefs2="a9 a61" order="S"/>
                  <bond atomRefs2="a9 a78" order="S"/>
                  <bond atomRefs2="a10 a60" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a10 a67" order="S"/>
                  <bond atomRefs2="a11 a50" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a60" order="S"/>
                  <bond atomRefs2="a11 a77" order="S"/>
                  <bond atomRefs2="a11 a52" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a58" order="S"/>
                  <bond atomRefs2="a12 a81" order="S"/>
                  <bond atomRefs2="a12 a73" order="S"/>
                  <bond atomRefs2="a12 a78" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a71" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a81" order="S"/>
                  <bond atomRefs2="a13 a48" order="S"/>
                  <bond atomRefs2="a13 a55" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a71" order="S"/>
                  <bond atomRefs2="a15 a78" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a68" order="S"/>
                  <bond atomRefs2="a15 a51" order="S"/>
                  <bond atomRefs2="a16 a63" order="S"/>
                  <bond atomRefs2="a16 a71" order="S"/>
                  <bond atomRefs2="a16 a70" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a16 a65" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a17 a72" order="S"/>
                  <bond atomRefs2="a17 a79" order="S"/>
                  <bond atomRefs2="a17 a76" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a69" order="S"/>
                  <bond atomRefs2="a18 a61" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a74" order="S"/>
                  <bond atomRefs2="a19 a79" order="S"/>
                  <bond atomRefs2="a19 a59" order="S"/>
                  <bond atomRefs2="a19 a76" order="S"/>
                  <bond atomRefs2="a20 a75" order="S"/>
                  <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                  <bond atomRefs2="a22 a44" 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="a24 a66" order="S"/>
                  <bond atomRefs2="a24 a62" order="S"/>
                  <bond atomRefs2="a24 a69" order="S"/>
                  <bond atomRefs2="a25 a75" order="S"/>
                  <bond atomRefs2="a25 a73" order="S"/>
                  <bond atomRefs2="a25 a53" order="S"/>
                  <bond atomRefs2="a25 a65" order="S"/>
                  <bond atomRefs2="a26 a63" order="S"/>
                  <bond atomRefs2="a26 a62" order="S"/>
                  <bond atomRefs2="a27 a69" order="S"/>
                  <bond atomRefs2="a27 a70" order="S"/>
                  <bond atomRefs2="a27 a64" order="S"/>
                  <bond atomRefs2="a27 a62" order="S"/>
                  <bond atomRefs2="a27 a72" order="S"/>
                  <bond atomRefs2="a28 a55" order="S"/>
                  <bond atomRefs2="a28 a73" order="S"/>
                  <bond atomRefs2="a29 a52" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a29 a54" order="S"/>
                  <bond atomRefs2="a29 a44" order="S"/>
                  <bond atomRefs2="a30 a74" order="S"/>
                  <bond atomRefs2="a30 a80" order="S"/>
                  <bond atomRefs2="a30 a79" order="S"/>
                  <bond atomRefs2="a30 a72" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a31 a55" order="S"/>
                  <bond atomRefs2="a32 a66" order="S"/>
                  <bond atomRefs2="a32 a69" order="S"/>
                  <bond atomRefs2="a32 a64" order="S"/>
                  <bond atomRefs2="a32 a49" order="S"/>
                  <bond atomRefs2="a32 a76" order="S"/>
                  <bond atomRefs2="a33 a61" order="S"/>
                  <bond atomRefs2="a33 a53" order="S"/>
                  <bond atomRefs2="a33 a51" order="S"/>
                  <bond atomRefs2="a33 a78" order="S"/>
                  <bond atomRefs2="a34 a74" order="S"/>
                  <bond atomRefs2="a34 a72" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a34 a76" order="S"/>
                  <bond atomRefs2="a34 a77" order="S"/>
                  <bond atomRefs2="a34 a64" order="S"/>
                  <bond atomRefs2="a35 a46" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a44" order="S"/>
                  <bond atomRefs2="a36 a70" order="S"/>
                  <bond atomRefs2="a36 a64" order="S"/>
                  <bond atomRefs2="a36 a50" order="S"/>
                  <bond atomRefs2="a36 a65" order="S"/>
                  <bond atomRefs2="a36 a77" order="S"/>
                  <bond atomRefs2="a37 a63" order="S"/>
                  <bond atomRefs2="a38 a66" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a39 a71" order="S"/>
                  <bond atomRefs2="a39 a58" order="S"/>
                  <bond atomRefs2="a40 a54" order="S"/>
                  <bond atomRefs2="a40 a59" order="S"/>
                  <bond atomRefs2="a40 a56" order="S"/>
                  <bond atomRefs2="a41 a60" order="S"/>
                  <bond atomRefs2="a41 a61" order="S"/>
                  <bond atomRefs2="a41 a75" order="S"/>
                  <bond atomRefs2="a41 a53" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
               </property>
            </molecule>
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="2.12310522"
                        xFract="0.25155275"
                        y3="6.32027899"
                        yFract="0.74884822"
                        z3="9.43017291"
                        zFract="0.42440022"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="4.22565993"
                        xFract="0.50067061"
                        y3="6.32206083"
                        yFract="0.74905934"
                        z3="4.24198676"
                        zFract="0.1909085"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="0.00576411"
                        xFract="0.00068295"
                        y3="6.31221622"
                        yFract="0.74789292"
                        z3="8.39912289"
                        zFract="0.37799833"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.31271905"
                        xFract="0.74795249"
                        y3="4.22096904"
                        yFract="0.50011481"
                        z3="4.21389268"
                        zFract="0.18964413"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="6.32057207"
                        xFract="0.74888295"
                        y3="6.31006696"
                        yFract="0.74763826"
                        z3="6.33610908"
                        zFract="0.28515342"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="6.31909398"
                        xFract="0.74870782"
                        y3="4.22153179"
                        yFract="0.50018149"
                        z3="8.47973014"
                        zFract="0.38162602"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="8.42100546"
                        xFract="0.99774946"
                        y3="2.11504947"
                        yFract="0.25059828"
                        z3="4.23518162"
                        zFract="0.19060223"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="4.20471686"
                        xFract="0.4981892"
                        y3="2.06567445"
                        yFract="0.24474816"
                        z3="4.25371181"
                        zFract="0.19143617"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.24250563"
                        xFract="0.50266654"
                        y3="6.31114774"
                        yFract="0.74776632"
                        z3="8.43885792"
                        zFract="0.37978659"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="6.32134584"
                        xFract="0.74897463"
                        y3="8.41509446"
                        yFract="0.99704911"
                        z3="8.43758791"
                        zFract="0.37972943"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.12927378"
                        xFract="0.25228362"
                        y3="2.09979198"
                        yFract="0.24879052"
                        z3="6.32869696"
                        zFract="0.28481985"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.11391658"
                        xFract="0.25046405"
                        y3="4.22981218"
                        yFract="0.50116258"
                        z3="8.44409986"
                        zFract="0.3800225"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.12784427"
                        xFract="0.25211425"
                        y3="6.34381481"
                        yFract="0.75163683"
                        z3="6.32104301"
                        zFract="0.28447538"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="8.43016627"
                        xFract="0.99883487"
                        y3="2.11747753"
                        yFract="0.25088596"
                        z3="8.44724961"
                        zFract="0.38016425"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="8.40330147"
                        xFract="0.99565183"
                        y3="4.23495239"
                        yFract="0.50177161"
                        z3="6.3609999"
                        zFract="0.28627362"/>
                  <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="2.12244294"
                        xFract="0.25147428"
                        y3="0.00228207"
                        yFract="0.00027039"
                        z3="4.19177029"
                        zFract="0.18864853"/>
                  <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="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.22787119"
                        xFract="0.50093261"
                        y3="4.21000192"
                        yFract="0.49881539"
                        z3="6.39612104"
                        zFract="0.28785423"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="0.01181551"
                        xFract="0.00139994"
                        y3="6.35418976"
                        yFract="0.75286608"
                        z3="4.19330598"
                        zFract="0.18871764"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.21314587"
                        xFract="0.4991879"
                        y3="8.42955139"
                        yFract="0.99876201"
                        z3="6.35574427"
                        zFract="0.2860371"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.33118877"
                        xFract="0.75014085"
                        y3="8.43505142"
                        yFract="0.99941368"
                        z3="4.22853953"
                        zFract="0.19030331"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.22466987"
                        xFract="0.5005533"
                        y3="2.10651128"
                        yFract="0.24958664"
                        z3="8.5501737"
                        zFract="0.3847963"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="2.09980907"
                        xFract="0.24879254"
                        y3="4.22924089"
                        yFract="0.50109489"
                        z3="4.25030655"
                        zFract="0.19128292"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="0.00578557"
                        xFract="0.00068549"
                        y3="8.43880535"
                        yFract="0.99985845"
                        z3="6.36564995"
                        zFract="0.2864829"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.13990591"
                        xFract="0.25354335"
                        y3="8.42184031"
                        yFract="0.99784838"
                        z3="8.50297162"
                        zFract="0.38267199"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="6.30270442"
                        xFract="0.74676593"
                        y3="2.11697086"
                        yFract="0.25082593"
                        z3="6.37957911"
                        zFract="0.28710977"/>
                  <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="0.0101229"
                        xFract="0.0011994"
                        y3="2.13422185"
                        yFract="0.25286989"
                        z3="6.34151781"
                        zFract="0.28539684"/>
                  <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="2.14256469"
                        xFract="0.25385838"
                        y3="0.00337912"
                        yFract="0.00040037"
                        z3="6.27939235"
                        zFract="0.28260092"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="8.36452373"
                        xFract="0.99105731"
                        y3="0.09364528"
                        yFract="0.01109541"
                        z3="4.23990819"
                        zFract="0.19081495"/>
                  <atom elementType="O"
                        id="a48"
                        x3="8.42660661"
                        xFract="0.99841311"
                        y3="8.43720678"
                        yFract="0.99966905"
                        z3="8.49745906"
                        zFract="0.3824239"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.10449737"
                        xFract="0.24934803"
                        y3="2.20725254"
                        yFract="0.26152281"
                        z3="4.19972223"
                        zFract="0.1890064"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.08976348"
                        xFract="0.24760231"
                        y3="2.11478074"
                        yFract="0.25056644"
                        z3="8.47793314"
                        zFract="0.38154515"/>
                  <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="4.20401326"
                        xFract="0.49810584"
                        y3="2.1130223"
                        yFract="0.25035809"
                        z3="6.30819132"
                        zFract="0.283897"/>
                  <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="6.28262575"
                        xFract="0.74438694"
                        y3="8.40616336"
                        yFract="0.99599092"
                        z3="6.34736678"
                        zFract="0.28566007"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.30747151"
                        xFract="0.51036392"
                        y3="8.42792645"
                        yFract="0.99856948"
                        z3="4.17228177"
                        zFract="0.18777146"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.24613676"
                        xFract="0.50309677"
                        y3="8.40709889"
                        yFract="0.99610176"
                        z3="8.6686111"
                        zFract="0.39012651"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.31439177"
                        xFract="0.74815068"
                        y3="2.27582541"
                        yFract="0.26964756"
                        z3="4.18015388"
                        zFract="0.18812574"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.34470536"
                        xFract="0.75174234"
                        y3="2.08688763"
                        yFract="0.24726157"
                        z3="8.52831884"
                        zFract="0.38381273"/>
                  <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="0.0015849"
                        xFract="0.00018778"
                        y3="6.32001757"
                        yFract="0.74881725"
                        z3="6.28847151"
                        zFract="0.28300952"/>
                  <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="2.06281201"
                        xFract="0.24440901"
                        y3="4.21755811"
                        yFract="0.49971068"
                        z3="6.37155434"
                        zFract="0.28674862"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="8.30635762"
                        xFract="0.9841656"
                        y3="4.15883946"
                        yFract="0.49275349"
                        z3="4.26427149"
                        zFract="0.19191141"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.00349793"
                        xFract="0.00041445"
                        y3="4.21838542"
                        yFract="0.4998087"
                        z3="8.46995219"
                        zFract="0.38118597"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.19867969"
                        xFract="0.26050707"
                        y3="6.25100525"
                        yFract="0.74064043"
                        z3="4.23669053"
                        zFract="0.19067014"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.12310522"
                        xFract="0.25155275"
                        y3="6.32027899"
                        yFract="0.74884822"
                        z3="8.43027291"
                        zFract="0.37940022"/>
                  <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="4.23103525"
                        xFract="0.50130749"
                        y3="6.30806138"
                        yFract="0.74740064"
                        z3="6.33522439"
                        zFract="0.28511361"/>
                  <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="6.33590243"
                        xFract="0.75069934"
                        y3="4.24808379"
                        yFract="0.50332746"
                        z3="6.41691616"
                        zFract="0.28879011"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.34662392"
                        xFract="0.51500283"
                        y3="4.20720522"
                        yFract="0.49848403"
                        z3="4.20445518"
                        zFract="0.18921941"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.21449871"
                        xFract="0.49934819"
                        y3="4.22854683"
                        yFract="0.50101266"
                        z3="8.6463417"
                        zFract="0.38912429"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.26188878"
                        xFract="0.74192995"
                        y3="6.17053326"
                        yFract="0.73110584"
                        z3="4.26352423"
                        zFract="0.19187778"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.35013465"
                        xFract="0.75238562"
                        y3="6.32310276"
                        yFract="0.74918279"
                        z3="8.42254631"
                        zFract="0.37905249"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a71" order="S"/>
                  <bond atomRefs2="a2 a44" order="S"/>
                  <bond atomRefs2="a2 a49" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a2 a50" order="S"/>
                  <bond atomRefs2="a2 a64" order="S"/>
                  <bond atomRefs2="a2 a52" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a3 a73" order="S"/>
                  <bond atomRefs2="a3 a57" order="S"/>
                  <bond atomRefs2="a3 a77" order="S"/>
                  <bond atomRefs2="a3 a70" order="S"/>
                  <bond atomRefs2="a4 a63" order="S"/>
                  <bond atomRefs2="a4 a71" order="S"/>
                  <bond atomRefs2="a4 a68" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a80" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a5 a77" order="S"/>
                  <bond atomRefs2="a5 a67" order="S"/>
                  <bond atomRefs2="a6 a52" order="S"/>
                  <bond atomRefs2="a6 a76" order="S"/>
                  <bond atomRefs2="a6 a56" order="S"/>
                  <bond atomRefs2="a6 a59" order="S"/>
                  <bond atomRefs2="a6 a49" order="S"/>
                  <bond atomRefs2="a7 a74" order="S"/>
                  <bond atomRefs2="a7 a60" order="S"/>
                  <bond atomRefs2="a7 a54" order="S"/>
                  <bond atomRefs2="a7 a59" order="S"/>
                  <bond atomRefs2="a7 a52" order="S"/>
                  <bond atomRefs2="a8 a55" order="S"/>
                  <bond atomRefs2="a8 a81" order="S"/>
                  <bond atomRefs2="a8 a75" order="S"/>
                  <bond atomRefs2="a8 a80" order="S"/>
                  <bond atomRefs2="a8 a73" order="S"/>
                  <bond atomRefs2="a9 a81" order="S"/>
                  <bond atomRefs2="a9 a75" order="S"/>
                  <bond atomRefs2="a9 a61" order="S"/>
                  <bond atomRefs2="a9 a78" order="S"/>
                  <bond atomRefs2="a10 a60" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a10 a67" order="S"/>
                  <bond atomRefs2="a11 a50" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a60" order="S"/>
                  <bond atomRefs2="a11 a77" order="S"/>
                  <bond atomRefs2="a11 a52" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a58" order="S"/>
                  <bond atomRefs2="a12 a81" order="S"/>
                  <bond atomRefs2="a12 a73" order="S"/>
                  <bond atomRefs2="a12 a78" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a71" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a81" order="S"/>
                  <bond atomRefs2="a13 a48" order="S"/>
                  <bond atomRefs2="a13 a55" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a71" order="S"/>
                  <bond atomRefs2="a15 a78" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a68" order="S"/>
                  <bond atomRefs2="a15 a51" order="S"/>
                  <bond atomRefs2="a16 a63" order="S"/>
                  <bond atomRefs2="a16 a71" order="S"/>
                  <bond atomRefs2="a16 a70" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a16 a65" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a17 a72" order="S"/>
                  <bond atomRefs2="a17 a79" order="S"/>
                  <bond atomRefs2="a17 a76" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a69" order="S"/>
                  <bond atomRefs2="a18 a61" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a74" order="S"/>
                  <bond atomRefs2="a19 a79" order="S"/>
                  <bond atomRefs2="a19 a59" order="S"/>
                  <bond atomRefs2="a19 a76" order="S"/>
                  <bond atomRefs2="a20 a75" order="S"/>
                  <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                  <bond atomRefs2="a22 a44" 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="a24 a66" order="S"/>
                  <bond atomRefs2="a24 a62" order="S"/>
                  <bond atomRefs2="a24 a69" order="S"/>
                  <bond atomRefs2="a25 a75" order="S"/>
                  <bond atomRefs2="a25 a73" order="S"/>
                  <bond atomRefs2="a25 a53" order="S"/>
                  <bond atomRefs2="a25 a65" order="S"/>
                  <bond atomRefs2="a26 a63" order="S"/>
                  <bond atomRefs2="a26 a62" order="S"/>
                  <bond atomRefs2="a27 a69" order="S"/>
                  <bond atomRefs2="a27 a70" order="S"/>
                  <bond atomRefs2="a27 a64" order="S"/>
                  <bond atomRefs2="a27 a62" order="S"/>
                  <bond atomRefs2="a27 a72" order="S"/>
                  <bond atomRefs2="a28 a55" order="S"/>
                  <bond atomRefs2="a28 a73" order="S"/>
                  <bond atomRefs2="a29 a52" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a29 a54" order="S"/>
                  <bond atomRefs2="a29 a44" order="S"/>
                  <bond atomRefs2="a30 a74" order="S"/>
                  <bond atomRefs2="a30 a80" order="S"/>
                  <bond atomRefs2="a30 a79" order="S"/>
                  <bond atomRefs2="a30 a72" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a31 a55" order="S"/>
                  <bond atomRefs2="a32 a66" order="S"/>
                  <bond atomRefs2="a32 a69" order="S"/>
                  <bond atomRefs2="a32 a64" order="S"/>
                  <bond atomRefs2="a32 a49" order="S"/>
                  <bond atomRefs2="a32 a76" order="S"/>
                  <bond atomRefs2="a33 a61" order="S"/>
                  <bond atomRefs2="a33 a53" order="S"/>
                  <bond atomRefs2="a33 a51" order="S"/>
                  <bond atomRefs2="a33 a78" order="S"/>
                  <bond atomRefs2="a34 a74" order="S"/>
                  <bond atomRefs2="a34 a72" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a34 a76" order="S"/>
                  <bond atomRefs2="a34 a77" order="S"/>
                  <bond atomRefs2="a34 a64" order="S"/>
                  <bond atomRefs2="a35 a46" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a44" order="S"/>
                  <bond atomRefs2="a36 a70" order="S"/>
                  <bond atomRefs2="a36 a64" order="S"/>
                  <bond atomRefs2="a36 a50" order="S"/>
                  <bond atomRefs2="a36 a65" order="S"/>
                  <bond atomRefs2="a36 a77" order="S"/>
                  <bond atomRefs2="a37 a63" order="S"/>
                  <bond atomRefs2="a38 a66" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a39 a71" order="S"/>
                  <bond atomRefs2="a39 a58" order="S"/>
                  <bond atomRefs2="a40 a54" order="S"/>
                  <bond atomRefs2="a40 a59" order="S"/>
                  <bond atomRefs2="a40 a56" order="S"/>
                  <bond atomRefs2="a41 a60" order="S"/>
                  <bond atomRefs2="a41 a61" order="S"/>
                  <bond atomRefs2="a41 a75" order="S"/>
                  <bond atomRefs2="a41 a53" 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: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">-20.1567 -18.6333 -18.3274 -18.2236 -18.1645 -18.0368 -17.9099 -17.8693 -17.8178 -17.7651 -17.7519 -17.6734 -17.6520 -17.6279 -17.5710 -17.5501 -17.5346 -17.4968 -17.4773 -17.4402 -17.4265 -17.4026 -17.3946 -17.3601 -17.3353 -17.3010 -17.2335 -17.2124 -17.1844 -17.1068 -17.0856 -17.0170 -16.9987 -16.9596 -16.9146 -16.8373 -16.8215 -16.8123 -16.7641 -16.7139 -7.6320 -6.5737 -6.5419 -6.4724 -6.4506 -6.2407 -6.1807 -6.1382 -6.1160 -6.0972 -6.0560 -6.0452 -6.0374 -6.0136 -5.9796 -5.9690 -5.9479 -5.8992 -5.8757 -5.8517 -5.8130 -5.7891 -5.7697 -5.7490 -5.7235 -5.7023 -5.6851 -5.6619 -5.6327 -5.6265 -5.6110 -5.5832 -5.5704 -5.5529 -5.5318 -5.5109 -5.5004 -5.4874 -5.4666 -5.4541 -5.4143 -5.3898 -5.3735 -5.3540 -5.3437 -5.3275 -5.2888 -5.2790 -5.2678 -5.2480 -5.2073 -5.1894 -5.1641 -5.1415 -5.1104 -5.0920 -5.0682 -5.0501 -5.0487 -5.0068 -4.9872 -4.9739 -4.9380 -4.9139 -4.8838 -4.8541 -4.8040 -4.7785 -4.7394 -4.7081 -4.6871 -4.6612 -4.6236 -4.6044 -4.5716 -4.5414 -4.4953 -4.4778 -4.4559 -4.4140 -4.3898 -4.3423 -4.3139 -4.3008 -4.2381 -4.2139 -4.2076 -4.1830 -4.1541 -4.1216 -4.0940 -4.0685 -4.0505 -4.0188 -3.9916 -3.9576 -3.9302 -3.9135 -3.8877 -3.8647 -3.8311 -3.8158 -3.7898 -3.7630 -3.7341 -3.6903 -3.6515 -3.6275 -3.5929 -3.5674 -3.5471 -3.5239 -3.4717 -3.4644 -3.4063 -3.3958 -3.3823 -3.3370 -3.3121 -3.2898 -3.2431 -3.2124 -3.1904 -3.1628 -3.1224 -3.0790 -3.0455 -3.0309 -2.9828 -2.9531 -2.9192 -2.8952 -2.8616 -2.8428 -2.8114 -2.7769 -2.7608 -2.7091 -2.6717 -2.6355 -2.5760 -2.5675 -2.5098 -2.4868 -2.4461 -2.3927 -2.3753 -2.3255 -2.3125 -2.2359 -2.2084 -2.1889 -2.1468 -2.1000 -2.0607 -2.0384 -2.0139 -1.9401 -1.8765 -1.8231 -1.7922 -1.7425 -1.7146 -1.6625 -1.6122 -1.5929 -1.5691 -1.5411 -1.4860 -1.4610 -1.4274 -1.3891 -1.3727 -1.3590 -1.3199 -1.2751 -1.2504 -1.2250 -1.2059 -1.1678 -1.1342 -1.1154 -1.1039 -1.0762 -1.0595 -1.0501 -1.0261 -1.0114 -0.9971 -0.9789 -0.9603 -0.9445 -0.9339 -0.9216 -0.9127 -0.8977 -0.8804 -0.8635 -0.8474 -0.8334 -0.8156 -0.8101 -0.8090 -0.7894 -0.7722 -0.7667 -0.7557 -0.7423 -0.7308 -0.7195 -0.7006 -0.6915 -0.6711 -0.6536 -0.6444 -0.6246 -0.6174 -0.6058 -0.5861 -0.5737 -0.5563 -0.5495 -0.5238 -0.5155 -0.4996 -0.4815 -0.4670 -0.4595 -0.4442 -0.4204 -0.3803 -0.3562 -0.2953 -0.2617 -0.2300 -0.2203 -0.1961 -0.1871 -0.1713 -0.1251 -0.1000 -0.0853 -0.0584 -0.0011 0.0440 0.0807 0.1051 0.1481 0.1651 0.1837 0.2063 0.2619 0.2966 0.3666 0.4025 0.4282 0.4513 0.5390 0.6394 0.7578 0.8134 0.8861 0.9289 0.9671 0.9968 1.0505 1.2820 1.3137 1.7880 1.9928 2.3236 2.5932 3.4963 3.7607 3.7955 4.0399 4.1543 4.5500 4.5906 4.7040 4.7817 4.9581 4.9921 5.1065 5.1663 5.5301 5.6311 5.7025 5.7283 5.7861 5.7977 5.8566 5.9098 5.9474 5.9877 6.0485 6.1268 6.1987 6.2700 6.3271 6.4840 6.5676 6.6689 6.7731 6.8063 6.9154 6.9953 7.0736 7.0935 7.2061 7.2600 7.2952 7.3833 7.4482 7.4947 7.5433 7.5856 7.6116 7.7142 7.8003 7.8808 7.9457 7.9788 8.0678 -20.1567 -18.6332 -18.3154 -18.2560 -18.1483 -18.0109 -17.9333 -17.8722 -17.8174 -17.7701 -17.7487 -17.6716 -17.6503 -17.6168 -17.5794 -17.5642 -17.5157 -17.4936 -17.4763 -17.4399 -17.4378 -17.4043 -17.3915 -17.3635 -17.3311 -17.3031 -17.2348 -17.2117 -17.1796 -17.1068 -17.0865 -17.0200 -16.9933 -16.9640 -16.9171 -16.8408 -16.8129 -16.8105 -16.7670 -16.7147 -7.6320 -6.5777 -6.5389 -6.4686 -6.4527 -6.2513 -6.1671 -6.1432 -6.1252 -6.0911 -6.0666 -6.0564 -6.0326 -6.0144 -5.9973 -5.9680 -5.9527 -5.8884 -5.8569 -5.8282 -5.8148 -5.7978 -5.7803 -5.7600 -5.7247 -5.7099 -5.6890 -5.6675 -5.6475 -5.6213 -5.6050 -5.5824 -5.5589 -5.5462 -5.5235 -5.5087 -5.4777 -5.4659 -5.4322 -5.4247 -5.4149 -5.3947 -5.3653 -5.3399 -5.3274 -5.3052 -5.2968 -5.2752 -5.2628 -5.2332 -5.2273 -5.1935 -5.1801 -5.1564 -5.1365 -5.1245 -5.0979 -5.0648 -5.0330 -5.0099 -4.9705 -4.9429 -4.9262 -4.9157 -4.8933 -4.8541 -4.8158 -4.8042 -4.7901 -4.7423 -4.7091 -4.6940 -4.6296 -4.6021 -4.5770 -4.5237 -4.4900 -4.4644 -4.4370 -4.4213 -4.3763 -4.3553 -4.3243 -4.2876 -4.2730 -4.2524 -4.2067 -4.1834 -4.1361 -4.1097 -4.0916 -4.0776 -4.0479 -4.0300 -4.0079 -3.9782 -3.9412 -3.9180 -3.8758 -3.8463 -3.8190 -3.7909 -3.7499 -3.7205 -3.7070 -3.6689 -3.6358 -3.6150 -3.5741 -3.5378 -3.5100 -3.4941 -3.4695 -3.4504 -3.4295 -3.3804 -3.3730 -3.3393 -3.3026 -3.2793 -3.2582 -3.2283 -3.1934 -3.1655 -3.1417 -3.1237 -3.0509 -3.0031 -2.9842 -2.9512 -2.9210 -2.8887 -2.8711 -2.8541 -2.8291 -2.7753 -2.7470 -2.7161 -2.6980 -2.6651 -2.6349 -2.6065 -2.5423 -2.5057 -2.4588 -2.4184 -2.3759 -2.3437 -2.2819 -2.2375 -2.1950 -2.1706 -2.1192 -2.1033 -2.0625 -2.0104 -1.9587 -1.9434 -1.8719 -1.8123 -1.7780 -1.7439 -1.7194 -1.6601 -1.6412 -1.5980 -1.5719 -1.5303 -1.5109 -1.4644 -1.4319 -1.4013 -1.3759 -1.3285 -1.2971 -1.2783 -1.2543 -1.2260 -1.1907 -1.1631 -1.1544 -1.1410 -1.1114 -1.0734 -1.0604 -1.0438 -1.0233 -1.0042 -0.9953 -0.9712 -0.9623 -0.9545 -0.9390 -0.9178 -0.9085 -0.8893 -0.8814 -0.8614 -0.8483 -0.8407 -0.8168 -0.8071 -0.7995 -0.7810 -0.7681 -0.7557 -0.7470 -0.7386 -0.7305 -0.7241 -0.6915 -0.6837 -0.6741 -0.6493 -0.6374 -0.6276 -0.6089 -0.6037 -0.5863 -0.5791 -0.5666 -0.5468 -0.5343 -0.5157 -0.5094 -0.4912 -0.4709 -0.4620 -0.4407 -0.4061 -0.3808 -0.3505 -0.3116 -0.2560 -0.2433 -0.2197 -0.1971 -0.1753 -0.1552 -0.1218 -0.1125 -0.0755 -0.0333 0.0088 0.0354 0.0661 0.0763 0.1119 0.1514 0.1710 0.2035 0.2591 0.3363 0.3690 0.4055 0.4395 0.4558 0.5371 0.6370 0.7612 0.8155 0.8857 0.9242 0.9672 1.0044 1.0426 1.2801 1.3013 1.7907 1.9968 2.3311 2.5886 3.5103 3.8267 3.8921 3.9191 3.9417 4.5784 4.6769 4.7967 4.8821 4.9085 5.0401 5.1732 5.2396 5.3934 5.4483 5.5782 5.6973 5.7572 5.7897 5.8687 5.9007 5.9382 5.9933 6.0723 6.1942 6.2127 6.2787 6.3601 6.4982 6.5613 6.7175 6.7927 6.8738 6.9337 7.0046 7.0536 7.1249 7.1974 7.2747 7.3134 7.3303 7.3944 7.4702 7.5374 7.6317 7.6829 7.7329 7.7973 7.8390 7.8784 7.9882 8.0456</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="728">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99228 0.27093 0.00047 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99283 0.39134 0.00045 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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">-20.1067 -18.5037 -18.1545 -18.1091 -18.0694 -17.8525 -17.7863 -17.7340 -17.7020 -17.6291 -17.6234 -17.5635 -17.5217 -17.4824 -17.4758 -17.4407 -17.4038 -17.3867 -17.3568 -17.3352 -17.3011 -17.2727 -17.2458 -17.2303 -17.2236 -17.1626 -17.1004 -17.0866 -17.0615 -17.0475 -17.0186 -17.0075 -16.9458 -16.8871 -16.8544 -16.8476 -16.7413 -16.7353 -16.6680 -16.6134 -7.5982 -6.5016 -6.4766 -6.3964 -6.3844 -6.1563 -6.1082 -6.0879 -6.0795 -6.0400 -6.0188 -5.9935 -5.9779 -5.9557 -5.9306 -5.9079 -5.8946 -5.8461 -5.8235 -5.8042 -5.7687 -5.7553 -5.7307 -5.7135 -5.6863 -5.6452 -5.6286 -5.6176 -5.5917 -5.5734 -5.5626 -5.5444 -5.5319 -5.5134 -5.4863 -5.4781 -5.4590 -5.4387 -5.4262 -5.3994 -5.3646 -5.3560 -5.3348 -5.3022 -5.2844 -5.2670 -5.2415 -5.2229 -5.2131 -5.1874 -5.1511 -5.1354 -5.1104 -5.0847 -5.0702 -5.0426 -5.0178 -4.9917 -4.9555 -4.9416 -4.9066 -4.8989 -4.8602 -4.8164 -4.7909 -4.7737 -4.7375 -4.6940 -4.6481 -4.6221 -4.5961 -4.5474 -4.5290 -4.4946 -4.4695 -4.4345 -4.3850 -4.3540 -4.3231 -4.2874 -4.2670 -4.2205 -4.1978 -4.1597 -4.1353 -4.1008 -4.0453 -4.0110 -3.9884 -3.9529 -3.9206 -3.8516 -3.8418 -3.8082 -3.7905 -3.7461 -3.7269 -3.7038 -3.6882 -3.6423 -3.6062 -3.5997 -3.5738 -3.5235 -3.4744 -3.4522 -3.4361 -3.4096 -3.3816 -3.3474 -3.3169 -3.2912 -3.2485 -3.2303 -3.2044 -3.1828 -3.1486 -3.1270 -3.0936 -3.0588 -3.0431 -3.0179 -2.9864 -2.9727 -2.9351 -2.9146 -2.8805 -2.8509 -2.8213 -2.8022 -2.7884 -2.7521 -2.7205 -2.6667 -2.6446 -2.6204 -2.5916 -2.5648 -2.5083 -2.4702 -2.4084 -2.3943 -2.3573 -2.3445 -2.2883 -2.2638 -2.2065 -2.1858 -2.1513 -2.0997 -2.0363 -1.9978 -1.9750 -1.9127 -1.8848 -1.8641 -1.8265 -1.7686 -1.7059 -1.6903 -1.6663 -1.5741 -1.5584 -1.5190 -1.4785 -1.4615 -1.4239 -1.3928 -1.3714 -1.3062 -1.2622 -1.2443 -1.2212 -1.1728 -1.1386 -1.0971 -1.0725 -1.0257 -1.0057 -0.9749 -0.9691 -0.9390 -0.9089 -0.8839 -0.8531 -0.8325 -0.8240 -0.8085 -0.7892 -0.7676 -0.7520 -0.7336 -0.7195 -0.6952 -0.6778 -0.6463 -0.6169 -0.5981 -0.5776 -0.5702 -0.5457 -0.5100 -0.4964 -0.4906 -0.4777 -0.3892 -0.3349 -0.3115 -0.2678 -0.2551 -0.2078 -0.1496 -0.1182 -0.1028 -0.0838 -0.0732 -0.0603 -0.0524 -0.0317 -0.0151 0.0001 0.0184 0.0253 0.0441 0.0709 0.0811 0.0915 0.1054 0.1187 0.1416 0.1475 0.1694 0.1927 0.2262 0.2354 0.2566 0.2633 0.2740 0.2951 0.3099 0.3157 0.3352 0.4457 0.4704 0.4926 0.5276 0.6491 0.7430 0.9134 1.0088 1.0258 1.0714 1.1002 1.1612 1.2247 1.3174 1.6492 1.7066 1.7248 1.7728 1.8075 1.8163 1.8514 1.9006 1.9236 1.9683 2.0008 2.0426 2.2286 2.2607 2.4101 2.6526 3.5866 3.8065 3.8543 4.1078 4.2299 4.6057 4.6216 4.8067 4.8342 5.0376 5.0679 5.1617 5.2594 5.5757 5.7020 5.7663 5.7886 5.8384 5.9091 5.9438 5.9969 6.0217 6.0890 6.1295 6.1779 6.2890 6.3345 6.3984 6.5577 6.6574 6.7418 6.8275 6.8750 6.9764 7.0427 7.1316 7.1577 7.2818 7.3247 7.3685 7.4415 7.4855 7.5596 7.6100 7.6594 7.6994 7.8152 7.8581 7.9487 8.0066 8.0629 8.1473 -20.1067 -18.5033 -18.1582 -18.1131 -18.0628 -17.8431 -17.7885 -17.7332 -17.7054 -17.6444 -17.6209 -17.5657 -17.5083 -17.4875 -17.4698 -17.4472 -17.4160 -17.3726 -17.3517 -17.3208 -17.3072 -17.2772 -17.2570 -17.2313 -17.2170 -17.1610 -17.1110 -17.1029 -17.0454 -17.0318 -17.0196 -17.0084 -16.9480 -16.8930 -16.8617 -16.8392 -16.7436 -16.7323 -16.6672 -16.6142 -7.5981 -6.4957 -6.4817 -6.4031 -6.3760 -6.1663 -6.1171 -6.0937 -6.0741 -6.0380 -6.0173 -6.0041 -5.9774 -5.9580 -5.9335 -5.9178 -5.8968 -5.8434 -5.8106 -5.7851 -5.7747 -5.7520 -5.7289 -5.7166 -5.6909 -5.6657 -5.6448 -5.6105 -5.5953 -5.5797 -5.5572 -5.5304 -5.5201 -5.5036 -5.4772 -5.4621 -5.4361 -5.4130 -5.3940 -5.3878 -5.3671 -5.3548 -5.3303 -5.2971 -5.2870 -5.2677 -5.2470 -5.2220 -5.2088 -5.1726 -5.1591 -5.1501 -5.1215 -5.1089 -5.0827 -5.0658 -5.0269 -4.9936 -4.9637 -4.9329 -4.8914 -4.8698 -4.8595 -4.8337 -4.7958 -4.7761 -4.7558 -4.7164 -4.6852 -4.6418 -4.6265 -4.5765 -4.5351 -4.4998 -4.4601 -4.4101 -4.3693 -4.3433 -4.3115 -4.2963 -4.2726 -4.2333 -4.2057 -4.1682 -4.1287 -4.0873 -4.0285 -3.9880 -3.9734 -3.9404 -3.9012 -3.8882 -3.8538 -3.8146 -3.7805 -3.7634 -3.7425 -3.7036 -3.6824 -3.6135 -3.5966 -3.5672 -3.5368 -3.5161 -3.4744 -3.4650 -3.4293 -3.3893 -3.3597 -3.3234 -3.2908 -3.2646 -3.2519 -3.2121 -3.1936 -3.1730 -3.1607 -3.1466 -3.1245 -3.0826 -3.0637 -3.0384 -3.0085 -2.9885 -2.9589 -2.9312 -2.8945 -2.8563 -2.8448 -2.8047 -2.7904 -2.7326 -2.6944 -2.6723 -2.6301 -2.6085 -2.5738 -2.5460 -2.5238 -2.4841 -2.4656 -2.4217 -2.3651 -2.3447 -2.2909 -2.2552 -2.2177 -2.1837 -2.1096 -2.1013 -2.0307 -1.9932 -1.9605 -1.9311 -1.8972 -1.8563 -1.7807 -1.7420 -1.7009 -1.6814 -1.6513 -1.5787 -1.5485 -1.5190 -1.4898 -1.4666 -1.4250 -1.4119 -1.3671 -1.3174 -1.2884 -1.2641 -1.2321 -1.1852 -1.1269 -1.1106 -1.0514 -1.0289 -1.0008 -0.9809 -0.9609 -0.9456 -0.9102 -0.8756 -0.8621 -0.8315 -0.8161 -0.7831 -0.7788 -0.7609 -0.7376 -0.7268 -0.7184 -0.6940 -0.6779 -0.6491 -0.6248 -0.6157 -0.5712 -0.5521 -0.5499 -0.5353 -0.5078 -0.4818 -0.4752 -0.4516 -0.3347 -0.3192 -0.2701 -0.2461 -0.1827 -0.1542 -0.1210 -0.1048 -0.0952 -0.0731 -0.0544 -0.0432 -0.0254 -0.0132 -0.0017 0.0238 0.0368 0.0494 0.0701 0.0829 0.0930 0.1131 0.1256 0.1329 0.1510 0.1708 0.2013 0.2126 0.2303 0.2485 0.2655 0.2749 0.2901 0.3080 0.3145 0.3268 0.4460 0.4744 0.5031 0.5288 0.6505 0.7430 0.9143 1.0120 1.0255 1.0757 1.0974 1.1616 1.2238 1.3194 1.6562 1.7085 1.7260 1.7644 1.8019 1.8188 1.8818 1.9035 1.9213 1.9612 1.9883 2.0398 2.2165 2.2517 2.4209 2.6478 3.5903 3.8860 3.9404 3.9926 4.0222 4.6634 4.7216 4.8563 4.9455 4.9672 5.0893 5.2035 5.3203 5.4836 5.5529 5.6491 5.7502 5.8304 5.9208 5.9489 5.9849 6.0097 6.0657 6.1474 6.2428 6.2947 6.3582 6.4318 6.6061 6.6275 6.7698 6.8600 6.9316 7.0026 7.0684 7.1197 7.1792 7.2558 7.3279 7.3581 7.4080 7.4681 7.5489 7.5962 7.7066 7.7515 7.8018 7.8671 7.9156 7.9546 8.0694 8.1185</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 0.68633 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.66536 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="78"
                          units="nonsi2:ev.angstrom-1">-0.326852 0.084568 -0.516878 0.064461 0.067740 0.031291 0.202900 -0.028478 -0.192512 -1.667774 -0.046444 0.306157 0.105798 0.057202 0.010021 -0.006856 -0.103577 0.204871 -0.115040 0.059545 -0.006333 0.074262 -0.053534 -0.079203 -0.010294 0.096395 0.107795 -0.044606 0.185815 -0.102434 0.210933 0.209487 -0.247211 1.943534 -0.097689 -0.697342 0.070604 -0.065144 -0.159420 0.027470 0.003063 -0.278972 -0.072660 -1.832287 -0.660569 -0.061339 0.007713 -1.675377 -0.000987 0.046768 0.538394 -0.077996 0.072677 -0.148196 0.169204 -0.029509 0.420917 -0.179814 -0.019430 -0.247601 -0.035691 0.032760 0.443186 -0.049115 -0.069731 -0.165738 -0.057427 0.059515 0.103486 0.003757 -0.093286 -0.671144 0.133888 -0.081074 -0.190498 -0.000393 0.035050 -0.060964 0.028793 0.028238 0.006137 0.130589 0.083805 -0.230949 0.039583 -0.032286 0.000255 -0.028636 -0.016625 0.083892 -0.002418 -0.016189 -0.041643 -0.116011 0.018297 -0.034957 0.079660 0.107376 -0.189505 -0.046479 0.005858 0.022240 -0.013672 -0.101132 0.067704 0.039518 0.021109 -0.215165 -0.146255 0.023195 -0.365376 0.010335 0.080761 -0.081415 -0.081321 2.143230 -0.622369 -0.016779 -0.025983 -0.062040 -0.017591 0.040992 -0.239099 -0.001213 0.022319 0.511520 0.075400 -0.024493 0.322352 -0.054627 0.494116 -0.046812 -0.082707 -0.348185 0.750822 0.211766 0.123065 -0.542403 0.071929 0.023212 0.097591 0.522578 -0.202326 0.294742 0.174016 -0.234406 -0.155335 -0.003901 -0.142788 0.175366 0.037251 -0.021587 0.179420 -0.018171 -0.054319 -0.044649 -0.031143 0.029945 0.242000 0.052432 0.445658 0.365109 0.081595 0.047744 0.220029 -0.251552 0.036328 -0.485027 -0.199307 0.058163 -0.053444 -0.677778 -0.514709 0.431032 -0.169585 0.169292 -0.134833 -0.055771 -0.116351 0.115769 -0.073118 -0.139009 0.171247 -0.047022 0.073349 1.206193 0.373601 -0.018107 -0.188883 -0.090949 -0.488338 0.193597 -0.098750 0.408817 0.665818 -0.185122 -0.091428 -0.600605 0.082415 -0.109178 0.048980 0.493331 0.180626 0.191252 0.086512 0.281452 -0.380783 0.096266 0.003315 0.134177 0.649416 -0.489698 2.014500 0.061663 -0.023113 0.136017 -0.497104 -0.010517 0.601415 0.117159 -0.466991 -0.287769 0.109917 -0.022005 -0.008227 0.284747 0.022638 -0.589231 -0.239873 -0.129371 -0.034813 -0.633169 0.494977 0.482670 -0.093774 -0.233519 -0.390993 -0.176308 0.020063 0.005030 -0.060330 0.086596 0.223728 -0.489903 0.313238 6.742143 0.087482 0.044324 -0.004673 0.131291 0.008742 -0.036404 -0.450343 -0.006805 -0.079377 -0.035765 -0.002189 -0.030082 -0.003699 -0.115018 0.000775 -0.130497 0.046890 -0.062182 0.025465 -0.010581 -0.250993 -0.116882 -0.149437 0.090561 0.003044 0.072045 -0.055596 0.106133 0.138018 -0.345263 0.271913 -0.111212 -0.221972 -0.031159 0.183109 -0.008613 0.015703 -0.012027 -0.335903 0.136476 -0.325270 -0.181310 0.006950 -0.008849 -0.187471 0.000351 0.049566 0.533944 -0.237019 0.032297 -0.039312 0.132677 -0.049503 0.399900 0.026646 0.032572 -0.039234 -0.013593 0.053253 0.430228 -0.027658 -0.012629 -0.035476 -0.059389 0.080754 0.084336 0.006724 -0.084886 -0.693217 0.008836 0.015815 -0.055350 -0.034268 0.034868 -0.072254 0.022985 0.042667 0.002903 0.001818 -0.014912 -0.096254 0.036142 -0.021047 -0.030204 -0.016101 -0.012548 0.057688 -0.034251 -0.014886 -0.027938 -0.093968 0.005847 -0.051435 0.273891 0.091349 -0.080016 -0.033511 0.007222 -0.027999 -0.019787 -0.107740 0.076021 0.035424 -0.076491 -0.079674 -0.036338 -0.022999 -0.143107 0.010164 0.071862 -0.083830 0.076296 0.484828 -0.354030 -0.032522 -0.012466 -0.069730 -0.005215 0.013490 -0.110135 -0.002071 0.021023 0.494813 0.066807 0.010977 0.192072 -0.062843 0.494251 -0.091537 -0.037066 -0.076886 0.336655 0.212108 0.092059 -0.538579 0.077463 0.069712 0.017085 0.119422 -0.113505 0.163497 0.175960 -0.229668 -0.142535 0.001941 -0.087240 0.165427 -0.053527 0.130949 0.065254 -0.021691 -0.042551 0.287900 -0.036528 0.022678 0.154651 0.056001 0.447737 0.374771 0.072779 -0.008423 0.124858 -0.247747 0.061987 -0.473150 -0.142542 0.067454 -0.010754 -0.158470 -0.113951 0.202229 -0.170598 0.170721 -0.124742 -0.006954 -0.083820 0.118730 -0.028501 -0.058146 0.066742 -0.047177 0.078988 1.172492 0.090704 -0.009642 0.133277 -0.110526 -0.490654 0.192551 -0.044580 0.065380 0.024210 -0.185192 -0.054871 -0.536390 0.098738 -0.070231 -0.039935 0.061140 0.031414 0.117930 0.064216 0.278082 -0.379757 0.127898 -0.019261 -0.242571 0.460838 -0.470359 -5.903982 0.060954 -0.032211 0.092646 -0.123144 -0.019498 0.141818 0.143040 -0.478796 -0.236039 0.050592 0.013334 0.033965 0.282338 0.002402 -0.562849 -0.136202 -0.099321 0.008371 -0.065399 -0.010639 0.240919 -0.070702 -0.234555 -0.386862 -0.114955 0.025251 0.014925 0.128930 0.068569 0.202425 -0.359956 0.217098 4.765424 0.084202 0.047983 -0.046673 0.140855 0.012813 -0.079528 -0.710150 -0.013071 -0.087180 -0.015096 0.008613 -0.026257 -0.006397 -0.087707 -0.129976 -0.116519 0.044299 -0.100175 0.040223 -0.019557 -0.221979 -0.109839 -0.103545 0.088039 -0.001643 0.130828 -0.096142 0.118856 0.184984 -0.673505 0.610012 -0.112308 -0.319098 -0.018543 0.138590 -0.046128 0.014327 -0.008552 -0.324933 0.103869 -0.628713 -0.298370 0.006774 -0.006060 -0.450475 -0.002336 0.050501 0.522966 -0.207169 0.039539 -0.059610 0.136842 -0.067480 0.413515 -0.018983 0.000531 -0.102229 0.000472 0.068706 0.433802 -0.025282 -0.029248 -0.060418 -0.054214 0.085845 0.106816 0.009639 -0.091334 -0.663578 0.034033 0.018416 -0.032608 -0.025309 0.017267 -0.058495 0.014312 0.038105 -0.005930 0.026157 -0.009283 -0.094838 0.035851 -0.050832 -0.041564 -0.007873 -0.016359 0.054556 -0.030483 -0.008670 -0.030440 -0.100954 0.000284 -0.044113 0.238100 0.096534 -0.091462 -0.037652 0.026940 -0.024451 -0.018078 -0.108754 0.079219 0.037025 -0.050581 -0.107952 -0.059438 -0.009679 -0.192081 0.010300 0.081367 -0.085582 0.047511 0.805038 -0.421891 -0.034062 -0.006658 -0.067877 0.006014 0.019240 -0.130347 -0.002673 0.023809 0.536239 0.068320 0.003702 0.191451 -0.057800 0.494595 -0.085312 -0.056883 -0.124509 0.433883 0.210206 0.082612 -0.537003 0.072703 0.054327 0.038890 0.204443 -0.133325 0.202892 0.201982 -0.229410 -0.134795 -0.007265 -0.126059 0.208423 -0.029038 0.093241 0.085561 -0.015366 -0.082853 0.740520 -0.032386 0.025871 0.059858 0.050976 0.447185 0.371325 0.083611 0.006425 0.151837 -0.250020 0.098277 -0.454633 -0.158202 0.126194 -0.023854 -0.260713 -0.189113 0.257816 -0.202274 0.171782 -0.118038 -0.000258 -0.117821 0.161384 -0.042773 -0.076990 0.084673 -0.048027 0.068692 1.173135 0.136808 -0.000828 0.124363 -0.074922 -0.490375 0.187648 -0.065922 0.129724 0.165093 -0.185862 -0.053164 -0.592235 0.092712 -0.072233 0.046366 0.151958 0.066660 0.146898 0.058798 0.278297 -0.391886 0.054654 -0.014223 -0.149713 0.385258 -0.401176 -3.815656 0.066366 -0.022799 0.184859 -0.190633 -0.017213 0.164273 0.102636 -0.475912 -0.250921 0.083244 0.000817 0.025270 0.281713 -0.042840 -0.556598 -0.168566 -0.143773 -0.009845 -0.176515 0.082246 0.291743 -0.067043 -0.235488 -0.391082 -0.063099 0.014465 0.007025 0.094454 0.076055 0.221693 -0.116803 0.100920 0.246829 0.020630 0.032847 0.004215 0.065097 0.013086 -0.016650 -0.005832 -0.011175 -0.086575 -0.049116 -0.016509 0.009852 -0.005950 -0.067059 0.303311 -0.051131 0.036147 -0.065758 0.022380 -0.003741 -0.232039 -0.159852 -0.184217 0.127584 0.027402 0.028370 -0.027112 0.050167 0.165002 -0.266199 -0.230324 -0.113423 -0.057399 -0.045132 0.223690 0.053791 0.013592 -0.004431 -0.300159 0.169224 0.146705 -0.022069 0.015389 -0.023862 0.187437 -0.003552 0.055565 0.528125 -0.259239 0.029205 0.030037 0.197668 -0.008006 0.420210 0.077846 0.067764 0.030899 -0.043117 0.005909 0.440919 -0.022622 -0.014601 0.012930 -0.067555 0.087239 0.089240 0.014809 -0.102871 -0.631625 -0.017750 0.073785 0.046859 -0.041470 0.025817 -0.079673 0.023620 0.045006 -0.023247 -0.037862 -0.054794 -0.034816 0.030887 -0.106539 -0.047709 -0.016788 -0.015097 0.038759 -0.042314 -0.020690 -0.019708 -0.148878 0.046338 -0.045596 0.302269 0.089553 -0.030625 -0.029688 0.077512 -0.012180 -0.022018 -0.106280 0.065178 0.027314 -0.074244 -0.030645 0.009510 -0.059483 -0.041139 0.008015 0.097233 -0.109848 0.110064 -0.018166 -0.235837 -0.008063 -0.051531 -0.062863 -0.018804 0.017979 -0.060633 -0.004137 0.026701 0.637994 0.052722 0.016859 -0.004696 -0.072583 0.507584 -0.120070 -0.017968 0.032426 0.142233 0.210999 0.141323 -0.519041 0.067622 0.002869 -0.033373 -0.014727 -0.068586 0.101573 0.215248 -0.235611 -0.140035 0.067481 -0.089491 0.116534 -0.071614 0.184722 0.013294 -0.015930 -0.070588 0.110406 -0.030601 0.023293 -0.003776 0.062281 0.457400 0.363863 0.055137 -0.017254 0.080621 -0.253569 0.085099 -0.479537 -0.123747 0.082631 0.002785 0.002727 0.013083 0.106540 -0.215099 0.172987 -0.129154 -0.025804 -0.095135 0.088631 -0.014392 -0.039661 0.014628 -0.040921 0.075065 1.184839 -0.019177 -0.008167 0.054518 -0.091207 -0.503324 0.177448 -0.041241 -0.064198 -0.226466 -0.180873 -0.115491 -0.634859 0.085910 0.042679 0.054272 -0.071214 -0.037536 0.067494 0.145579 0.275876 -0.419761 0.071078 -0.027222 -0.340329 -0.012608 -0.198113 0.564566 0.064209 -0.036773 0.161875 0.035724 -0.038999 -0.142307 0.113481 -0.487310 -0.262468 0.073700 0.009205 -0.017960 0.286788 -0.042622 -0.574686 -0.121638 -0.070260 -0.044701 0.114986 -0.154547 0.175167 -0.151658 -0.230962 -0.412822 -0.022763 0.012643 0.018690 0.145776 0.060458 0.172000 -0.116263 0.100591 0.239349 0.020603 0.032800 0.004192 0.064588 0.013125 -0.016262 -0.002442 -0.011062 -0.086437 -0.049472 -0.016607 0.009850 -0.005981 -0.067071 0.303262 -0.051169 0.036100 -0.065814 0.022246 -0.003601 -0.231789 -0.159741 -0.184430 0.127218 0.027450 0.027789 -0.026764 0.049667 0.164464 -0.265150 -0.232224 -0.113379 -0.056873 -0.045166 0.223838 0.053944 0.013534 -0.004477 -0.300176 0.169264 0.148416 -0.021451 0.015319 -0.023832 0.188909 -0.003529 0.055570 0.528104 -0.259381 0.029158 0.030164 0.197577 -0.007942 0.420151 0.078074 0.067920 0.031224 -0.043180 0.005886 0.440879 -0.022521 -0.014404 0.013422 -0.067596 0.087236 0.089062 0.014757 -0.102832 -0.631678 -0.018171 0.073993 0.047322 -0.041507 0.025751 -0.079461 0.023597 0.045028 -0.023288 -0.038277 -0.055026 -0.034179 0.030846 -0.106559 -0.047744 -0.016832 -0.015065 0.038725 -0.042318 -0.020667 -0.019561 -0.148884 0.046343 -0.045650 0.302293 0.089434 -0.030435 -0.029699 0.077536 -0.012263 -0.022075 -0.106288 0.065149 0.027257 -0.074347 -0.030404 0.009629 -0.059588 -0.040754 0.007979 0.097182 -0.109892 0.110138 -0.020343 -0.235349 -0.008078 -0.051569 -0.062876 -0.018822 0.017915 -0.060420 -0.004152 0.026793 0.637976 0.052554 0.016907 -0.005290 -0.072698 0.507512 -0.120130 -0.017923 0.032912 0.140875 0.210971 0.141518 -0.519064 0.067497 0.002792 -0.033619 -0.015443 -0.068192 0.101197 0.215243 -0.235622 -0.140054 0.067455 -0.089221 0.116061 -0.071734 0.185486 0.013032 -0.015973 -0.070489 0.110314 -0.030568 0.023443 -0.004047 0.062338 0.457426 0.363901 0.055076 -0.017316 0.080199 -0.253609 0.085049 -0.479618 -0.123443 0.082399 0.002839 0.003627 0.013792 0.106046 -0.215155 0.172991 -0.129192 -0.025701 -0.096044 0.088400 -0.013986 -0.038842 0.015267 -0.040903 0.074990 1.184913 -0.019641 -0.008170 0.054070 -0.091322 -0.503260 0.177416 -0.040979 -0.064807 -0.227683 -0.180908 -0.115673 -0.634605 0.085806 0.042947 0.053887 -0.071782 -0.037913 0.067265 0.145817 0.275881 -0.419650 0.070945 -0.027193 -0.340721 -0.012728 -0.197353 0.572614 0.064117 -0.036853 0.161787 0.036468 -0.039172 -0.143222 0.113584 -0.487364 -0.262387 0.073330 0.009240 -0.017860 0.286756 -0.042588 -0.574688 -0.121165 -0.069922 -0.044587 0.115838 -0.155126 0.174536 -0.151970 -0.230986 -0.412944 -0.022540 0.012653 0.018712 0.145404 0.060390 0.171796 -0.114858 0.099962 0.224281 0.020594 0.032768 0.004138 0.064095 0.013409 -0.015718 0.000678 -0.011234 -0.091365 -0.049527 -0.016712 0.009719 -0.005967 -0.067062 0.303140 -0.051125 0.036128 -0.065925 0.021818 -0.003488 -0.232521 -0.160088 -0.185076 0.127113 0.027694 0.027356 -0.026591 0.049253 0.164048 -0.264216 -0.236098 -0.113671 -0.055448 -0.045618 0.224740 0.054320 0.013511 -0.004483 -0.300167 0.169808 0.151735 -0.020247 0.016015 -0.023657 0.191360 -0.003661 0.055625 0.528090 -0.259586 0.029066 0.030450 0.198102 -0.007625 0.420082 0.078559 0.067256 0.031239 -0.043395 0.005491 0.440895 -0.022422 -0.014247 0.013871 -0.067493 0.087552 0.089269 0.014832 -0.102809 -0.631805 -0.018519 0.074276 0.047737 -0.041489 0.025599 -0.079419 0.023433 0.045082 -0.023478 -0.038660 -0.055267 -0.033728 0.030792 -0.106537 -0.047880 -0.016640 -0.015088 0.038418 -0.042365 -0.020591 -0.019454 -0.149116 0.046574 -0.045713 0.302605 0.089416 -0.030177 -0.029723 0.077621 -0.012425 -0.021998 -0.106361 0.064980 0.027260 -0.074462 -0.030178 0.009955 -0.059404 -0.040192 0.007998 0.097332 -0.109968 0.110235 -0.024461 -0.234282 -0.007951 -0.051685 -0.062989 -0.018787 0.017890 -0.060128 -0.004201 0.026555 0.638016 0.052521 0.016983 -0.005692 -0.072794 0.507636 -0.120430 -0.017790 0.033274 0.139925 0.211006 0.142626 -0.519053 0.067338 0.002808 -0.033825 -0.016103 -0.069731 0.101025 0.215312 -0.235604 -0.140108 0.067470 -0.088856 0.115818 -0.071841 0.186482 0.012947 -0.015895 -0.070332 0.110199 -0.030541 0.023392 -0.004389 0.062430 0.457384 0.363925 0.054924 -0.017448 0.079931 -0.253591 0.084934 -0.479776 -0.123119 0.082424 0.003104 0.004285 0.014233 0.105709 -0.215188 0.173031 -0.129180 -0.025544 -0.095860 0.088053 -0.013851 -0.038722 0.015086 -0.041045 0.075225 1.184544 -0.020683 -0.007894 0.058418 -0.091167 -0.503298 0.177339 -0.040820 -0.065210 -0.228829 -0.180938 -0.116913 -0.635469 0.085676 0.043183 0.054924 -0.072288 -0.037697 0.067349 0.147794 0.275939 -0.420101 0.070858 -0.027448 -0.341054 -0.014686 -0.196208 0.586808 0.064268 -0.036917 0.161499 0.037169 -0.039101 -0.143991 0.113450 -0.487245 -0.262451 0.073197 0.009415 -0.017781 0.286797 -0.042453 -0.574741 -0.120969 -0.069785 -0.044495 0.116528 -0.155649 0.174118 -0.153845 -0.231003 -0.412860 -0.022165 0.012521 0.018638 0.145892 0.060321 0.171763 -0.112364 0.098678 0.194270 0.020577 0.032649 0.004092 0.063396 0.013656 -0.014935 0.007471 -0.011207 -0.094367 -0.049986 -0.016934 0.009688 -0.005985 -0.067083 0.303029 -0.051116 0.036052 -0.066087 0.021477 -0.003182 -0.233027 -0.160353 -0.185999 0.127048 0.027917 0.026439 -0.026079 0.048461 0.163254 -0.262615 -0.243906 -0.113553 -0.053123 -0.046018 0.225642 0.054864 0.013414 -0.004551 -0.300143 0.170060 0.158825 -0.018234 0.017243 -0.023664 0.196383 -0.003611 0.055675 0.528051 -0.260045 0.028900 0.031057 0.198234 -0.007358 0.419983 0.079490 0.067239 0.032160 -0.043553 0.005316 0.440811 -0.022301 -0.013964 0.014570 -0.067514 0.087737 0.089140 0.014795 -0.102728 -0.631961 -0.019201 0.074724 0.048439 -0.041827 0.025528 -0.079854 0.023375 0.045175 -0.023719 -0.039372 -0.055672 -0.033016 0.030759 -0.106551 -0.048096 -0.016590 -0.014980 0.038099 -0.042545 -0.020572 -0.019298 -0.149192 0.046700 -0.045880 0.303200 0.089296 -0.029694 -0.029696 0.077767 -0.012724 -0.022057 -0.106400 0.064832 0.027240 -0.074807 -0.029620 0.010489 -0.059541 -0.039041 0.007980 0.097317 -0.110108 0.109885 -0.031708 -0.232167 -0.007908 -0.051801 -0.063057 -0.018791 0.017749 -0.059636 -0.004162 0.026541 0.637954 0.052495 0.017051 -0.006241 -0.072917 0.507632 -0.120888 -0.017661 0.034005 0.138132 0.211003 0.143288 -0.519058 0.067321 0.002965 -0.034260 -0.017454 -0.069754 0.100552 0.215357 -0.235638 -0.140144 0.067504 -0.088615 0.115366 -0.072174 0.187567 0.012785 -0.015951 -0.070225 0.109971 -0.030535 0.023320 -0.004977 0.062499 0.457384 0.363802 0.055527 -0.016832 0.079879 -0.253616 0.084865 -0.479828 -0.122892 0.082492 0.003191 0.005615 0.014492 0.105889 -0.215249 0.172978 -0.129289 -0.025367 -0.095894 0.087786 -0.013684 -0.038593 0.014753 -0.041078 0.075335 1.184130 -0.022057 -0.007702 0.060705 -0.091254 -0.503277 0.177186 -0.040687 -0.066218 -0.231503 -0.180933 -0.117587 -0.635590 0.085797 0.043472 0.054964 -0.073698 -0.038020 0.067132 0.149001 0.276023 -0.420121 0.071113 -0.027530 -0.343234 -0.016282 -0.195158 0.614337 0.064268 -0.036908 0.161160 0.038493 -0.039083 -0.145927 0.113432 -0.487245 -0.262502 0.072921 0.009649 -0.017734 0.286732 -0.042364 -0.574792 -0.120827 -0.069625 -0.044465 0.118214 -0.157024 0.173442 -0.155074 -0.230929 -0.413073 -0.021986 0.012739 0.018746 0.146714 0.060359 0.171731 -0.111837 0.102478 0.251050 0.018664 0.029266 0.003199 0.047148 0.014134 -0.019629 0.026632 -0.014646 -0.093199 -0.038784 -0.020490 0.009600 -0.005546 -0.067284 0.300302 -0.047858 0.034847 -0.066863 0.022915 -0.004330 -0.186955 -0.140959 -0.153571 0.111991 0.022410 0.021681 -0.017849 0.042605 0.139468 -0.218852 -0.223474 -0.095422 -0.023352 -0.049060 0.184835 0.061344 0.010630 0.000258 -0.244044 0.147002 0.155698 -0.000552 0.013581 -0.023500 0.164349 -0.000832 0.055724 0.527872 -0.206970 0.030521 0.030166 0.198789 -0.006496 0.419663 0.074134 0.052289 0.041117 -0.043105 0.006708 0.440753 -0.020054 -0.017235 0.016767 -0.067776 0.089995 0.092084 0.012900 -0.103219 -0.631676 -0.013554 0.059686 0.043368 -0.035318 0.020652 -0.072031 0.023751 0.044853 -0.030887 -0.029408 -0.044122 -0.028624 0.029272 -0.109111 -0.049840 -0.015891 -0.014231 0.033324 -0.040945 -0.015975 -0.014842 -0.149625 0.045708 -0.046124 0.246777 0.078554 -0.024429 -0.029108 0.084313 -0.018877 -0.022167 -0.106632 0.062727 0.023662 -0.066037 -0.026810 0.006132 -0.046993 -0.020468 0.007619 0.098317 -0.111005 0.105225 -0.025294 -0.195510 -0.008060 -0.052832 -0.063564 -0.015152 0.016431 -0.066049 -0.002442 0.027117 0.639992 0.037741 0.009942 -0.017933 -0.073406 0.511784 -0.128618 -0.016360 0.017506 0.109114 0.211366 0.141596 -0.518125 0.065441 0.000301 -0.034025 -0.025661 -0.060887 0.081440 0.215842 -0.235103 -0.138192 0.063335 -0.086577 0.079731 -0.060804 0.160133 -0.000028 -0.016140 -0.066936 0.105413 -0.018801 0.025284 -0.017483 0.062304 0.457899 0.365104 0.045384 -0.015745 0.063378 -0.253866 0.085764 -0.478814 -0.114134 0.080510 0.003664 0.019551 0.018848 0.084254 -0.215251 0.173136 -0.128873 -0.018298 -0.086142 0.072418 -0.009744 -0.035124 0.014530 -0.047138 0.075791 1.175962 -0.016255 -0.004008 0.069326 -0.092180 -0.509904 0.173445 -0.029572 -0.046981 -0.216680 -0.180017 -0.115799 -0.639194 0.075911 0.044318 0.050756 -0.085254 -0.029602 0.053002 0.147746 0.276351 -0.410925 0.067508 -0.015255 -0.294411 -0.017882 -0.192819 0.511647 0.072077 -0.036676 0.158204 0.030821 -0.040956 -0.137350 0.112977 -0.488621 -0.256115 0.061385 0.010416 -0.011293 0.285754 -0.042987 -0.574122 -0.109304 -0.064158 -0.046086 0.132981 -0.152047 0.156225 -0.153428 -0.230502 -0.417777 -0.021773 0.013586 0.013748 0.105221 0.047551 0.147049 -0.112777 0.116688 0.420699 0.013482 0.018525 0.000801 -0.012554 0.014362 -0.029133 0.109103 -0.022889 -0.093517 -0.007831 -0.033084 0.009169 -0.004277 -0.068182 0.292328 -0.038621 0.030827 -0.069223 0.031282 0.000671 -0.051405 -0.089635 -0.054685 0.060052 0.009206 0.004667 0.012812 0.019822 0.065801 -0.102997 -0.161714 -0.038632 0.065096 -0.059025 0.059499 0.081253 -0.001855 0.013402 -0.071681 0.077356 0.149534 0.049813 0.001692 -0.022425 0.068210 0.006433 0.055880 0.527853 -0.042110 0.035126 0.029647 0.199899 -0.002793 0.417880 0.057611 0.005459 0.069960 -0.042802 0.008615 0.441616 -0.012529 -0.026298 0.025182 -0.068465 0.097101 0.099739 0.006968 -0.103798 -0.632489 0.000490 0.015890 0.028065 -0.014374 0.005358 -0.047970 0.024826 0.044416 -0.054261 -0.002129 -0.010087 -0.012897 0.024407 -0.116769 -0.054766 -0.013716 -0.011866 0.018524 -0.037264 -0.002025 -0.000406 -0.150441 0.043601 -0.046748 0.078899 0.041753 -0.010974 -0.027917 0.104122 -0.037701 -0.021929 -0.107757 0.056400 0.012256 -0.036063 -0.020069 -0.003131 -0.008028 0.030845 0.006748 0.100032 -0.113587 0.086916 -0.008517 -0.072250 -0.007950 -0.056547 -0.064965 -0.005041 0.012759 -0.082970 0.001700 0.031563 0.644476 -0.007409 -0.008033 -0.057583 -0.075231 0.524743 -0.154581 -0.005105 -0.035147 0.016749 0.212132 0.141740 -0.515453 0.059055 -0.005457 -0.038143 -0.044796 -0.035303 0.032336 0.216940 -0.233818 -0.133333 0.054144 -0.078664 -0.032941 -0.032826 0.077059 -0.034751 -0.015994 -0.056822 0.088940 0.014619 0.029043 -0.052291 0.062300 0.458588 0.367655 0.020168 -0.008796 0.015659 -0.254030 0.087134 -0.476021 -0.093857 0.078185 0.006825 0.059604 0.026574 0.021790 -0.214928 0.173871 -0.127412 -0.001509 -0.064442 0.024336 0.008064 -0.018929 0.013880 -0.066510 0.074040 1.150036 -0.001213 0.007815 0.093455 -0.096968 -0.530322 0.161243 0.006399 0.011791 -0.169571 -0.177934 -0.115817 -0.641802 0.050348 0.045413 0.030256 -0.120363 -0.005484 0.012636 0.153258 0.277478 -0.388640 0.052706 0.015532 -0.145338 -0.012201 -0.195005 0.222278 0.096201 -0.036793 0.148663 0.009831 -0.038459 -0.108799 0.114830 -0.492163 -0.236753 0.027196 0.011928 0.009280 0.283777 -0.044044 -0.572201 -0.078527 -0.044189 -0.050079 0.181605 -0.130996 0.100397 -0.155630 -0.229813 -0.429496 -0.016155 0.014449 -0.007976 -0.042999 0.007909 0.076341 -0.123916 0.153827 0.716394 0.001003 -0.003351 -0.004741 -0.125479 0.014627 -0.061534 0.300723 -0.042706 -0.068371 0.047600 -0.050005 0.008916 -0.003147 -0.071075 0.274580 -0.020214 0.021627 -0.074634 0.057975 0.014424 0.210615 0.032239 0.146464 -0.037288 -0.018199 -0.031787 0.072811 -0.030084 -0.097502 0.153315 -0.046688 0.074476 0.254972 -0.073999 -0.202264 0.123141 -0.024217 0.035666 0.289183 -0.065586 0.143093 0.156933 -0.028068 -0.016960 -0.099229 0.018598 0.056394 0.525179 0.289930 0.047409 0.034018 0.200395 0.003570 0.411487 0.025694 -0.078539 0.128093 -0.042896 0.011978 0.441963 0.000685 -0.044216 0.040746 -0.069288 0.110853 0.114025 -0.006111 -0.104142 -0.637375 0.026848 -0.073938 -0.004681 0.024533 -0.027816 -0.002483 0.026175 0.044458 -0.109175 0.050931 0.057615 0.018045 0.012741 -0.131750 -0.064903 -0.011242 -0.006944 -0.008753 -0.028828 0.026491 0.029592 -0.152472 0.038794 -0.050327 -0.261044 -0.033107 0.020112 -0.027181 0.144544 -0.079066 -0.022280 -0.107991 0.042434 -0.016678 0.021330 -0.007194 -0.021311 0.064771 0.134083 0.004061 0.102104 -0.119630 0.045699 0.034548 0.208443 -0.008956 -0.063915 -0.069385 0.012986 -0.002479 -0.110375 0.009012 0.031932 0.651356 -0.093550 -0.039588 -0.137685 -0.076915 0.549729 -0.207625 0.007871 -0.132788 -0.200078 0.212667 0.140160 -0.512586 0.051705 -0.013123 -0.045277 -0.088705 0.023906 -0.070683 0.219042 -0.230827 -0.124740 0.035786 -0.065530 -0.272035 0.005137 -0.089176 -0.099924 -0.017213 -0.038012 0.042605 0.074355 0.042738 -0.111084 0.059208 0.457891 0.367729 -0.038403 0.001004 -0.072636 -0.255697 0.090459 -0.473121 -0.049049 0.073821 0.003864 0.141891 0.042222 -0.100391 -0.216205 0.175478 -0.124609 0.035063 -0.024399 -0.072856 0.049853 0.011800 0.023015 -0.105607 0.076466 1.104980 0.027053 0.029387 0.110085 -0.109640 -0.569236 0.137135 0.088551 0.127536 -0.080370 -0.175472 -0.114713 -0.648215 0.001160 0.049285 -0.014577 -0.196134 0.031686 -0.072101 0.155706 0.278677 -0.347884 0.042065 0.075371 0.136551 0.025154 -0.212101 -0.334916 0.142750 -0.037387 0.132130 -0.032451 -0.042063 -0.063208 0.121580 -0.497232 -0.196510 -0.043910 0.012326 0.050617 0.278278 -0.046606 -0.569048 -0.012035 0.006833 -0.050582 0.272629 -0.082550 -0.000212 -0.153171 -0.228912 -0.451983 -0.006627 0.022442 -0.062690 -0.336666 -0.065483 -0.042373 -0.117686 0.136504 0.593996 0.006632 0.006118 -0.002247 -0.078463 0.015225 -0.045803 0.208519 -0.034004 -0.087981 0.024833 -0.043008 0.008505 -0.003452 -0.069619 0.282137 -0.028073 0.025782 -0.072344 0.046361 0.008593 0.100073 -0.022519 0.059262 0.003078 -0.007778 -0.017210 0.047266 -0.004231 -0.029953 0.041491 -0.095367 0.027125 0.171360 -0.068096 -0.087400 0.103422 -0.016364 0.025429 0.129528 -0.001894 0.144437 0.108724 -0.013313 -0.020225 -0.031898 0.013375 0.056230 0.526520 0.146033 0.042256 0.031184 0.200290 0.000908 0.414112 0.039136 -0.042043 0.101580 -0.042666 0.010528 0.441834 -0.004935 -0.036381 0.034162 -0.068799 0.105568 0.107959 -0.000322 -0.103926 -0.634822 0.016048 -0.034598 0.008967 0.007954 -0.012811 -0.020519 0.025241 0.044463 -0.084657 0.027885 0.027821 0.004074 0.017941 -0.125175 -0.060670 -0.011511 -0.008831 0.002259 -0.032002 0.014020 0.016066 -0.151468 0.040975 -0.048912 -0.112417 -0.001058 0.007575 -0.027353 0.126992 -0.061103 -0.021952 -0.108375 0.048566 -0.005159 -0.001632 -0.011799 -0.012731 0.033931 0.087153 0.005350 0.101387 -0.117045 0.065212 0.012569 0.080374 -0.008371 -0.060722 -0.067593 0.005211 0.004635 -0.100358 0.005930 0.031444 0.648148 -0.056280 -0.027740 -0.104265 -0.075946 0.539292 -0.184132 0.002192 -0.089542 -0.101441 0.212592 0.139815 -0.514048 0.054732 -0.009776 -0.039936 -0.072159 -0.000146 -0.022876 0.218243 -0.232051 -0.128870 0.044436 -0.072474 -0.163584 -0.006617 -0.017404 -0.070718 -0.016509 -0.046209 0.064120 0.048046 0.037501 -0.088712 0.060775 0.458340 0.367373 -0.009600 -0.002148 -0.033564 -0.254886 0.089371 -0.474517 -0.071369 0.079352 0.002661 0.104258 0.038322 -0.048801 -0.215440 0.174766 -0.126307 0.018174 -0.040027 -0.029281 0.031401 -0.003751 0.021313 -0.089143 0.075718 1.120488 0.014544 0.018678 0.111017 -0.104333 -0.552415 0.147782 0.051441 0.075173 -0.119000 -0.176291 -0.113947 -0.645734 0.020219 0.048325 0.005938 -0.162454 0.016530 -0.033620 0.155242 0.278267 -0.366453 0.045927 0.048738 0.019013 0.006213 -0.206198 -0.090377 0.122938 -0.036998 0.138730 -0.014338 -0.042707 -0.081739 0.119516 -0.494818 -0.214263 -0.011923 0.012999 0.033009 0.280685 -0.045704 -0.570862 -0.040881 -0.017852 -0.052450 0.234454 -0.101132 0.042545 -0.154297 -0.229065 -0.442407 -0.011662 0.018441 -0.036761 -0.206931 -0.032754 0.008367 -0.020448 0.039257 -0.405256 0.004279 0.000132 -0.010822 -0.058482 0.006177 -0.036546 0.127435 -0.028153 -0.049512 0.018284 -0.014235 0.003833 -0.003815 -0.069757 0.279667 -0.024380 0.023009 -0.077242 0.026868 0.007800 0.115793 0.009213 0.074081 -0.011975 0.000010 -0.017600 0.031498 -0.018929 -0.046277 0.065466 -0.057238 0.030381 0.140525 -0.046741 -0.107414 0.081003 -0.006764 0.020173 0.123686 -0.013347 0.097607 0.085418 -0.010037 -0.008007 -0.084164 0.015277 0.055820 0.526186 0.132397 0.025830 0.016338 0.200633 0.000578 0.414863 0.006115 -0.042261 0.068644 -0.043159 0.012583 0.443282 -0.008175 -0.031992 0.025323 -0.070006 0.104750 0.110179 -0.002373 -0.104585 -0.635081 0.028800 -0.033091 -0.007708 0.006988 -0.015425 0.000298 0.023109 0.045231 -0.098269 0.035332 0.023833 0.000245 0.013845 -0.124626 -0.063955 -0.011832 -0.009601 0.001087 -0.020804 0.009299 0.016706 -0.152342 0.038667 -0.049202 -0.108216 -0.009075 0.003668 -0.025763 0.131438 -0.069618 -0.022219 -0.105847 0.045999 -0.008668 0.000907 -0.021428 -0.022087 0.036213 0.082050 0.005162 0.101921 -0.116479 0.044845 0.004206 0.091094 -0.008516 -0.060931 -0.067367 0.008372 -0.004350 -0.068485 0.003109 0.035654 0.651616 -0.037737 -0.019638 -0.077024 -0.073766 0.540368 -0.197979 0.005953 -0.074531 -0.077619 0.211584 0.138451 -0.514518 0.044606 -0.020135 -0.023272 -0.028090 0.007757 -0.030630 0.217984 -0.230923 -0.128286 0.029237 -0.055332 -0.144220 -0.007342 -0.004667 -0.078650 -0.012186 -0.046517 0.052620 0.033891 0.036436 -0.071444 0.056429 0.458332 0.369963 -0.016141 -0.002746 -0.033549 -0.254369 0.088631 -0.472462 -0.050032 0.061559 -0.001563 0.057912 0.033505 -0.047081 -0.215973 0.175079 -0.126019 0.024491 -0.033339 -0.045240 0.035911 -0.003837 0.010998 -0.093730 0.072790 1.106079 0.022699 0.012756 0.088171 -0.109196 -0.555460 0.141728 0.047822 0.061390 -0.019533 -0.176229 -0.113174 -0.649912 0.016824 0.043808 0.012335 -0.111529 0.013418 -0.044548 0.152867 0.277416 -0.357468 0.021932 0.052262 0.059109 -0.077413 -0.071439 0.878390 0.129539 -0.032851 0.132736 -0.016804 -0.039217 -0.021272 0.121667 -0.497781 -0.204875 -0.013628 0.010798 0.028520 0.279750 -0.045285 -0.570538 -0.015276 -0.009100 -0.045183 0.173767 -0.081077 0.033716 -0.152331 -0.229202 -0.444498 -0.013826 0.017480 -0.032382 -0.154998 -0.028306 -0.005956 -0.001459 0.018553 -0.586774 0.004033 -0.001304 -0.011966 -0.055744 0.004974 -0.034558 0.109594 -0.025707 -0.042043 0.016121 -0.008992 0.003325 -0.003955 -0.069730 0.279331 -0.023786 0.022398 -0.078234 0.021861 0.007598 0.120582 0.014470 0.076237 -0.016325 0.002277 -0.018682 0.027616 -0.022618 -0.050385 0.072084 -0.049200 0.030955 0.134752 -0.042206 -0.111520 0.076080 -0.004647 0.019065 0.122406 -0.016389 0.087207 0.081503 -0.009366 -0.005142 -0.094888 0.014610 0.056083 0.526363 0.130286 0.022139 0.013667 0.200321 0.000534 0.414269 0.000027 -0.041964 0.062219 -0.043159 0.012428 0.444249 -0.008493 -0.030699 0.024042 -0.069785 0.105141 0.110151 -0.002647 -0.104248 -0.635321 0.031317 -0.032630 -0.011449 0.007103 -0.015504 0.005255 0.022493 0.045860 -0.100763 0.036716 0.023328 -0.000740 0.012370 -0.124135 -0.064309 -0.011653 -0.009501 0.000653 -0.018606 0.008611 0.016956 -0.152337 0.038510 -0.049289 -0.107130 -0.011196 0.003557 -0.025960 0.132545 -0.071304 -0.021785 -0.105388 0.045803 -0.009028 0.002217 -0.022642 -0.023744 0.036582 0.081534 0.005150 0.101924 -0.116334 0.039509 0.002734 0.093861 -0.008557 -0.060784 -0.067600 0.009703 -0.004794 -0.061784 0.002917 0.035009 0.652191 -0.036698 -0.018224 -0.075569 -0.074532 0.542147 -0.199814 0.006915 -0.072895 -0.075433 0.211471 0.138007 -0.514416 0.044205 -0.019858 -0.020602 -0.023193 0.007445 -0.030445 0.217703 -0.230784 -0.128496 0.029324 -0.054541 -0.141677 -0.007868 0.000015 -0.078746 -0.012134 -0.045738 0.050827 0.032918 0.037760 -0.072352 0.057231 0.458113 0.371183 -0.017075 -0.002706 -0.033036 -0.254438 0.088610 -0.473436 -0.051483 0.064645 0.000367 0.054357 0.032482 -0.044972 -0.215868 0.175129 -0.126006 0.025621 -0.035026 -0.047204 0.036232 -0.004531 0.010658 -0.095248 0.073517 1.101445 0.022393 0.014474 0.090534 -0.110299 -0.556795 0.141712 0.049828 0.059378 -0.012492 -0.176259 -0.112476 -0.649593 0.018049 0.042592 0.013095 -0.106324 0.013783 -0.044065 0.153500 0.277801 -0.358676 0.022092 0.052719 0.063367 -0.092692 -0.051435 1.053992 0.130969 -0.033212 0.131863 -0.017082 -0.041544 -0.014527 0.123367 -0.497225 -0.202980 -0.015476 0.011555 0.031064 0.279490 -0.045134 -0.570482 -0.014501 -0.008573 -0.044391 0.169122 -0.079801 0.035756 -0.152304 -0.228941 -0.443597 -0.015780 0.017571 -0.032818 -0.144159 -0.026630 -0.006162 -0.010839 0.024623 -0.442785 0.003951 -0.004555 -0.017898 -0.040551 0.001527 -0.027678 0.056743 -0.017878 -0.019423 0.010805 0.004256 0.000554 -0.004037 -0.069990 0.278557 -0.022605 0.020691 -0.081005 0.010216 0.006684 0.118557 0.029086 0.072295 -0.023884 0.007587 -0.018135 0.016075 -0.026953 -0.052341 0.073491 -0.036945 0.026576 0.114178 -0.027893 -0.109068 0.059902 0.001829 0.015561 0.103592 -0.016669 0.062797 0.069974 -0.006682 0.000810 -0.112794 0.015240 0.055776 0.526232 0.107879 0.010570 0.005725 0.200787 0.000481 0.414508 -0.015046 -0.037130 0.042099 -0.043661 0.012556 0.444810 -0.010721 -0.027455 0.017096 -0.070029 0.104391 0.110209 -0.002631 -0.104259 -0.635607 0.036828 -0.028234 -0.019153 0.004918 -0.015216 0.015298 0.020986 0.046714 -0.107415 0.038982 0.018429 -0.003540 0.010489 -0.123026 -0.066120 -0.011381 -0.010020 0.000539 -0.013502 0.003967 0.015473 -0.152389 0.037644 -0.049573 -0.090217 -0.013888 0.000496 -0.024757 0.133081 -0.075727 -0.021723 -0.104452 0.044260 -0.009755 0.001148 -0.029272 -0.027695 0.034674 0.075114 0.005514 0.101610 -0.115934 0.024592 -0.007496 0.090022 -0.008208 -0.060950 -0.067202 0.010427 -0.007868 -0.041149 0.001240 0.036950 0.654037 -0.021587 -0.010925 -0.053887 -0.071987 0.541364 -0.205070 0.009864 -0.059831 -0.052383 0.211237 0.139452 -0.514866 0.036730 -0.025981 -0.006700 0.004740 0.010392 -0.034117 0.217753 -0.230472 -0.128591 0.020021 -0.041320 -0.112782 -0.008972 0.011657 -0.076389 -0.009185 -0.047743 0.045760 0.020375 0.033173 -0.055800 0.054122 0.457880 0.371241 -0.018945 -0.003901 -0.028689 -0.253830 0.087169 -0.472016 -0.038411 0.052611 -0.005515 0.022009 0.031581 -0.045354 -0.215890 0.175112 -0.125996 0.027892 -0.028392 -0.050516 0.035297 -0.004010 0.004349 -0.095768 0.072011 1.093822 0.026503 0.010248 0.075018 -0.112458 -0.556862 0.138856 0.043200 0.049458 0.051678 -0.176129 -0.114620 -0.650531 0.014606 0.033963 0.015129 -0.069180 0.008896 -0.047647 0.156696 0.277208 -0.355596 0.007746 0.050277 0.076392 -0.064034 -0.037348 0.877220 0.132727 -0.030130 0.128395 -0.022685 -0.038042 0.029459 0.125143 -0.498881 -0.198168 -0.016245 0.009258 0.026683 0.279411 -0.044287 -0.570267 -0.002591 -0.003505 -0.039134 0.119428 -0.061983 0.026873 -0.155403 -0.229280 -0.443439 -0.016310 0.016612 -0.025172 -0.099097 -0.022661 -0.016888 -0.044043 0.054743 -0.022794 0.002306 -0.013259 -0.035904 0.007564 -0.010165 -0.007187 -0.078378 0.000699 0.056589 -0.003362 0.043308 -0.010528 -0.004382 -0.069684 0.276398 -0.018479 0.017407 -0.089265 -0.025067 0.005801 0.112682 0.070661 0.059412 -0.036895 0.024383 -0.014765 -0.024016 -0.046030 -0.061439 0.083363 0.004135 0.016982 0.058059 0.013754 -0.103129 0.014151 0.020128 0.001604 0.047245 -0.021091 -0.013847 0.041677 0.003179 0.021005 -0.167853 0.017227 0.055530 0.525663 0.040586 -0.021233 -0.016216 0.201744 -0.000523 0.416026 -0.063833 -0.024158 -0.021897 -0.044221 0.015896 0.447558 -0.017672 -0.015328 -0.000700 -0.072497 0.101623 0.111602 -0.004095 -0.104918 -0.634956 0.051857 -0.013927 -0.041208 -0.003354 -0.014603 0.043800 0.016266 0.049351 -0.125897 0.042155 0.005377 -0.011519 0.004702 -0.118955 -0.071218 -0.011239 -0.011308 0.001185 0.004252 -0.008595 0.011352 -0.153480 0.034671 -0.050509 -0.039863 -0.024159 -0.007531 -0.021015 0.135424 -0.088489 -0.021802 -0.099781 0.040615 -0.012147 0.000287 -0.046405 -0.036536 0.030076 0.053862 0.005836 0.102526 -0.114764 -0.007035 -0.030681 0.077837 -0.007744 -0.060069 -0.066586 0.013481 -0.017002 0.017989 -0.004022 0.046473 0.660475 0.020995 0.003076 0.000860 -0.069415 0.540952 -0.225635 0.016298 -0.021902 0.022666 0.209435 0.138377 -0.515502 0.018051 -0.046182 0.028746 0.078296 0.016128 -0.038671 0.217227 -0.228004 -0.128441 -0.006850 -0.003712 -0.035891 -0.005969 0.046637 -0.078023 -0.001138 -0.049295 0.030832 -0.014610 0.021796 -0.017948 0.049252 0.458352 0.377009 -0.024047 -0.006530 -0.018527 -0.251955 0.085837 -0.469910 -0.005734 0.014608 -0.008504 -0.063676 0.025855 -0.037994 -0.216127 0.175933 -0.125690 0.033318 -0.014260 -0.062438 0.034890 -0.010568 -0.012571 -0.098491 0.064835 1.076242 0.039694 -0.003350 0.030298 -0.120245 -0.556839 0.132103 0.026392 0.032517 0.204722 -0.175795 -0.113913 -0.655923 0.012503 0.017335 0.026864 0.033083 -0.004810 -0.053769 0.153461 0.275457 -0.346847 -0.037243 0.040490 0.105484 0.010434 -0.020867 0.377625 0.138408 -0.023765 0.120182 -0.033968 -0.031037 0.137229 0.130463 -0.503084 -0.184862 -0.015293 0.006017 0.012203 0.278601 -0.042990 -0.569565 0.023878 0.006609 -0.028950 -0.012487 -0.018022 0.013827 -0.152086 -0.229367 -0.443389 -0.023583 0.016912 -0.008302 0.021206 -0.005888 -0.035332 -0.059046 0.072044 0.141573 0.002513 -0.017623 -0.042887 0.025429 -0.014720 -0.000411 -0.135271 0.008232 0.089912 -0.013099 0.062515 -0.013638 -0.004519 -0.069688 0.275647 -0.017140 0.015290 -0.092731 -0.039616 0.005719 0.108128 0.094479 0.054381 -0.046405 0.028987 -0.014899 -0.039339 -0.052314 -0.067601 0.088268 0.019414 0.013534 0.037782 0.030377 -0.100026 -0.004156 0.027821 -0.003371 0.025312 -0.022868 -0.047898 0.033114 0.007249 0.027914 -0.193291 0.016424 0.055774 0.525949 0.014304 -0.033610 -0.024817 0.200665 -0.000423 0.414764 -0.080304 -0.018818 -0.045083 -0.044669 0.015360 0.449216 -0.019927 -0.010350 -0.007762 -0.072273 0.101663 0.110217 -0.003763 -0.103706 -0.635444 0.058261 -0.008499 -0.051104 -0.005873 -0.013057 0.054766 0.014236 0.051669 -0.133839 0.044888 0.000348 -0.015244 0.001501 -0.117021 -0.072762 -0.010432 -0.011086 0.000490 0.011749 -0.013607 0.010070 -0.152697 0.034263 -0.050977 -0.019552 -0.028455 -0.009802 -0.020139 0.136525 -0.094018 -0.020999 -0.098688 0.039498 -0.012023 0.000226 -0.053277 -0.040520 0.027146 0.044300 0.006331 0.101673 -0.114051 -0.020642 -0.042045 0.073756 -0.007288 -0.059711 -0.066304 0.014371 -0.020930 0.042081 -0.005547 0.046739 0.661831 0.034357 0.006433 0.017985 -0.067340 0.542124 -0.231094 0.017947 -0.005890 0.048460 0.209575 0.139420 -0.515343 0.012893 -0.049272 0.042912 0.104866 0.016338 -0.039527 0.217234 -0.227757 -0.128574 -0.015329 0.006938 -0.010698 -0.004683 0.057432 -0.078014 0.001524 -0.050630 0.025707 -0.030108 0.020910 -0.007471 0.047214 0.457442 0.377552 -0.025043 -0.008100 -0.013103 -0.251679 0.084421 -0.468743 0.001832 0.004625 -0.011776 -0.093947 0.023828 -0.033570 -0.216109 0.176111 -0.125385 0.036449 -0.014208 -0.067197 0.033551 -0.012456 -0.018565 -0.099999 0.065574 1.062538 0.043502 -0.007494 0.019832 -0.124863 -0.557668 0.130114 0.023302 0.023354 0.262385 -0.175502 -0.114526 -0.651196 0.014793 0.010200 0.024334 0.068969 -0.007732 -0.050574 0.159273 0.275943 -0.346653 -0.050544 0.035742 0.116619 0.039010 -0.014950 0.195888 0.141173 -0.021190 0.115916 -0.035105 -0.032119 0.175705 0.136477 -0.502974 -0.178814 -0.018237 0.005715 0.012188 0.278442 -0.041641 -0.568838 0.034322 0.011423 -0.023247 -0.068852 0.004339 0.006139 -0.156993 -0.229350 -0.441219 -0.028084 0.017187 -0.003512 0.067234 -0.002723 -0.040490 -0.063388 0.075000 0.194838 0.003744 -0.018975 -0.046141 0.022894 -0.012245 0.005415 -0.101457 0.002982 0.085483 -0.007404 0.044854 -0.016112 -0.004570 -0.069828 0.275891 -0.018574 0.015544 -0.092858 -0.040038 0.004523 0.088868 0.082425 0.040434 -0.041278 0.025521 -0.014240 -0.036318 -0.040804 -0.055869 0.073746 0.003003 0.004781 0.040436 0.029962 -0.079950 -0.008203 0.023197 -0.001132 0.024616 -0.020396 -0.032737 0.036835 0.007171 0.022367 -0.159081 0.017271 0.056039 0.525722 0.011977 -0.030894 -0.025569 0.201155 -0.000410 0.415276 -0.063401 -0.013966 -0.040069 -0.044481 0.016147 0.449179 -0.020114 -0.008063 -0.004571 -0.074217 0.101814 0.109601 -0.004040 -0.104201 -0.634341 0.045336 -0.004576 -0.042916 -0.009346 -0.011654 0.053704 0.012597 0.052810 -0.131927 0.031827 -0.003633 -0.013006 0.001336 -0.115485 -0.073990 -0.009571 -0.010693 0.000224 0.012911 -0.013683 0.006758 -0.153424 0.033946 -0.052006 -0.014899 -0.022156 -0.008434 -0.018692 0.134069 -0.096380 -0.021973 -0.099315 0.039817 -0.011984 0.001626 -0.039185 -0.029022 0.021857 0.038186 0.006000 0.102085 -0.114833 -0.024150 -0.041975 0.065371 -0.007591 -0.059563 -0.066281 0.012975 -0.019493 0.043193 -0.005401 0.047792 0.662999 0.031915 0.006475 0.010414 -0.070620 0.541990 -0.234300 0.020640 -0.002324 0.049672 0.208863 0.139208 -0.515503 0.009897 -0.052142 0.042635 0.097543 0.014338 -0.035809 0.216533 -0.227285 -0.129287 -0.018476 0.010922 -0.003132 -0.003113 0.040077 -0.075713 0.000902 -0.050143 0.026936 -0.023775 0.021568 -0.009238 0.050287 0.458778 0.380237 -0.022668 -0.009163 -0.010878 -0.251384 0.084426 -0.470943 0.003271 0.000363 -0.007206 -0.085338 0.024024 -0.030990 -0.215808 0.176356 -0.126106 0.034943 -0.009413 -0.059281 0.031780 -0.016067 -0.022188 -0.099285 0.063873 1.068789 0.036821 -0.006264 0.013400 -0.125865 -0.556256 0.128340 0.026468 0.020479 0.234920 -0.175799 -0.114609 -0.654388 0.015379 0.014495 0.025377 0.059194 -0.006690 -0.048989 0.156620 0.275175 -0.347336 -0.049392 0.026912 0.098427 0.040080 -0.016180 0.153010 0.139092 -0.022314 0.114916 -0.029193 -0.030664 0.167504 0.137612 -0.504549 -0.178160 -0.019942 0.005242 0.008859 0.278227 -0.041901 -0.569044 0.030600 0.009764 -0.020139 -0.057451 0.002430 0.007159 -0.154809 -0.229638 -0.443658 -0.024159 0.024736 0.004837 0.058043 0.000040 -0.035805 -0.077428 0.087116 0.363461 0.008365 -0.023101 -0.055240 0.013035 -0.004084 0.025084 -0.016379 -0.006733 0.072633 0.002600 0.005511 -0.019588 -0.004602 -0.070596 0.278136 -0.022372 0.015579 -0.094117 -0.038669 0.002012 0.028466 0.049220 -0.000811 -0.023495 0.016555 -0.013041 -0.024116 -0.014484 -0.028543 0.036380 -0.041938 -0.021992 0.046639 0.029538 -0.019571 -0.018783 0.010051 0.007336 0.023319 -0.011996 0.012828 0.052101 0.005636 0.005748 -0.052795 0.014546 0.056491 0.525767 0.006335 -0.022513 -0.026438 0.201632 -0.002613 0.415172 -0.009221 0.003014 -0.026412 -0.043867 0.015089 0.449927 -0.018629 0.000089 0.000238 -0.076453 0.102543 0.108579 -0.001489 -0.104404 -0.631690 0.009963 0.006165 -0.021714 -0.019705 -0.007183 0.054581 0.010204 0.056930 -0.125224 -0.002279 -0.015619 -0.006544 -0.000214 -0.111573 -0.076744 -0.007298 -0.011152 -0.000985 0.016757 -0.013225 -0.000016 -0.153602 0.034194 -0.053377 0.003409 -0.004700 -0.004557 -0.016701 0.127128 -0.103025 -0.022686 -0.102304 0.042514 -0.010946 0.006849 0.001909 -0.000798 0.005162 0.022370 0.006388 0.101792 -0.115231 -0.035315 -0.040346 0.041166 -0.007964 -0.058334 -0.065893 0.009668 -0.017046 0.044667 -0.003060 0.046552 0.663536 0.017762 0.003025 -0.001773 -0.071224 0.540367 -0.235847 0.028683 0.018634 0.039321 0.208594 0.138027 -0.516196 0.001842 -0.044251 0.038822 0.061145 0.007375 -0.018229 0.215882 -0.226496 -0.129481 -0.027385 0.024397 0.030415 0.003151 -0.035082 -0.043409 -0.000397 -0.055864 0.028871 0.001415 0.015376 -0.005442 0.051014 0.455844 0.381203 -0.014085 -0.011778 0.011050 -0.250511 0.083284 -0.472755 0.005581 -0.016068 0.004527 -0.040856 0.019246 -0.018781 -0.215460 0.176917 -0.125410 0.024313 0.010100 -0.024453 0.019584 -0.029079 -0.032162 -0.095451 0.062849 1.068393 -0.000449 -0.001626 0.009924 -0.125822 -0.551594 0.127873 0.021309 0.010205 0.116519 -0.175705 -0.114316 -0.655756 0.014522 0.011839 0.016848 0.021492 -0.004604 -0.028427 0.156888 0.273072 -0.354943 -0.025425 -0.007115 0.019943 0.055114 -0.008442 -0.039865 0.132262 -0.019393 0.112904 -0.002858 -0.014288 0.125497 0.141514 -0.501823 -0.175759 -0.021686 0.001315 -0.003064 0.278331 -0.041715 -0.567919 0.016279 0.009713 -0.004440 -0.019304 0.004185 -0.000851 -0.154574 -0.230585 -0.437049 -0.016534 0.035482 0.024437 0.025242 0.014226 -0.015196 -0.110470 0.119671 0.683006 0.017439 -0.030756 -0.073443 -0.007107 0.013216 0.059829 0.150235 -0.028727 0.058891 0.021186 -0.072422 -0.030149 -0.004600 -0.070998 0.282270 -0.029741 0.016422 -0.097236 -0.038666 -0.006316 -0.095759 -0.019492 -0.089261 0.014003 0.001400 -0.012116 -0.006684 0.035746 0.034112 -0.031157 -0.131852 -0.076816 0.063490 0.029349 0.099420 -0.039392 -0.015516 0.025627 0.021485 0.005860 0.104646 0.089141 0.004783 -0.027938 0.170031 0.011408 0.058224 0.526251 -0.005622 -0.006434 -0.028672 0.201582 -0.004779 0.416035 0.095598 0.035608 0.003719 -0.042801 0.014949 0.451735 -0.015987 0.018785 0.010059 -0.082059 0.104441 0.104925 0.002845 -0.103584 -0.625815 -0.063036 0.027073 0.022085 -0.040005 0.002912 0.052513 0.004518 0.066166 -0.111283 -0.069658 -0.039139 0.006812 -0.003021 -0.102746 -0.082166 -0.002235 -0.009785 -0.003124 0.023788 -0.011559 -0.014784 -0.153458 0.035379 -0.056336 0.038924 0.029844 0.004660 -0.011472 0.114126 -0.116483 -0.024626 -0.106727 0.047592 -0.007783 0.016399 0.070577 0.060303 -0.026626 -0.008042 0.006904 0.101763 -0.116216 -0.057816 -0.037884 -0.003395 -0.008743 -0.055275 -0.064256 0.003501 -0.011843 0.048908 0.001167 0.046952 0.665003 -0.006990 -0.000378 -0.023567 -0.073048 0.537834 -0.242436 0.043123 0.061553 0.023799 0.207784 0.136481 -0.516670 -0.012781 -0.040838 0.030861 -0.001129 -0.006740 0.021699 0.214823 -0.223982 -0.129953 -0.041902 0.054537 0.093615 0.008166 -0.172966 0.011702 -0.002836 -0.066017 0.032194 0.046194 0.005543 0.002079 0.053249 0.454914 0.385400 0.005020 -0.016591 0.045216 -0.248563 0.082324 -0.474405 0.013463 -0.051540 0.016934 0.030972 0.013428 0.006173 -0.214859 0.178978 -0.124738 0.008808 0.042672 0.032079 0.001969 -0.054452 -0.052604 -0.086652 0.060716 1.073706 -0.066074 0.010256 -0.007148 -0.128078 -0.541397 0.123587 0.024238 -0.005493 -0.097879 -0.175738 -0.112126 -0.654984 0.014152 0.007307 -0.005609 -0.047097 -0.001765 0.014038 0.155964 0.270036 -0.366983 0.013642 -0.075425 -0.154045 0.073842 -0.017940 -0.404368 0.117897 -0.012390 0.106561 0.049446 0.004832 0.057246 0.150660 -0.499902 -0.171434 -0.026143 -0.005288 -0.024402 0.278582 -0.040414 -0.565472 -0.006860 0.004140 0.023561 0.053059 0.003111 -0.013968 -0.153508 -0.231478 -0.430459 -0.002300 0.053501 0.066174 -0.041266 0.040954 0.025868 -0.098359 0.106923 0.572137 0.014371 -0.028154 -0.067793 -0.000296 0.008402 0.048277 0.090901 -0.023209 0.063961 0.013956 -0.046788 -0.028780 -0.004464 -0.070999 0.280078 -0.027129 0.016017 -0.096828 -0.036244 -0.002991 -0.050485 0.004698 -0.056076 0.000574 0.007271 -0.012437 -0.013135 0.018491 0.010164 -0.007176 -0.100359 -0.057909 0.056861 0.028723 0.060292 -0.032524 -0.006923 0.019047 0.021899 -0.000863 0.073535 0.073222 0.005946 -0.015394 0.089975 0.013424 0.057515 0.525764 -0.001275 -0.011981 -0.028386 0.201573 -0.003551 0.415506 0.060483 0.024696 -0.006158 -0.043273 0.015036 0.450313 -0.016683 0.012927 0.006296 -0.080316 0.103779 0.105693 0.001129 -0.103711 -0.628746 -0.037725 0.018606 0.006879 -0.033283 -0.000348 0.052623 0.006356 0.062809 -0.116071 -0.046339 -0.030862 0.002110 -0.001677 -0.105942 -0.080730 -0.003736 -0.010173 -0.002953 0.021339 -0.012488 -0.010145 -0.153299 0.034798 -0.055881 0.027348 0.017279 0.000693 -0.012864 0.118511 -0.112461 -0.024233 -0.105455 0.045455 -0.008381 0.011955 0.047770 0.039239 -0.015926 0.002844 0.006720 0.101464 -0.116406 -0.049816 -0.038818 0.012689 -0.008380 -0.056673 -0.065291 0.005517 -0.013776 0.047345 -0.000645 0.046235 0.664111 0.003321 0.000597 -0.014587 -0.072590 0.538502 -0.240454 0.038224 0.046493 0.031504 0.208103 0.137521 -0.517007 -0.008578 -0.039476 0.034520 0.024640 -0.001104 0.010825 0.215409 -0.225329 -0.130099 -0.037235 0.043427 0.070974 0.006277 -0.122056 -0.008389 -0.001911 -0.062410 0.032242 0.028278 0.006960 0.002598 0.052855 0.456165 0.383755 -0.001187 -0.015698 0.031837 -0.249024 0.082755 -0.474508 0.007787 -0.035198 0.011210 0.003648 0.013318 0.000732 -0.215216 0.177994 -0.125709 0.013372 0.030347 0.011520 0.007148 -0.042920 -0.043576 -0.089102 0.062294 1.071004 -0.042754 0.005322 -0.002191 -0.127270 -0.544908 0.123630 0.024833 0.001945 -0.015123 -0.175974 -0.113625 -0.655293 0.012638 0.009045 0.001171 -0.017659 -0.002863 0.000311 0.157413 0.271392 -0.360583 -0.001057 -0.050697 -0.094461 0.063034 -0.011191 -0.275543 0.123185 -0.015080 0.106771 0.026379 -0.004085 0.081144 0.147382 -0.501888 -0.173436 -0.022402 -0.003785 -0.015346 0.278792 -0.040957 -0.566957 0.002242 0.003716 0.010602 0.025528 0.000266 -0.009231 -0.155402 -0.231315 -0.435481 -0.004584 0.047458 0.052650 -0.019467 0.032740 0.015852 -0.036015 0.023061 0.131303 0.016031 -0.028295 -0.068781 -0.004715 0.009366 0.049208 0.103709 -0.022601 0.055546 0.017183 -0.048685 -0.025565 -0.004629 -0.071146 0.280744 -0.028716 0.015761 -0.096693 -0.032579 -0.007066 -0.064310 -0.007064 -0.062343 0.004664 0.002674 -0.010799 -0.007523 0.025095 0.020805 -0.017677 -0.095761 -0.058072 0.059188 0.024338 0.069031 -0.034278 -0.007887 0.020287 0.023760 0.002184 0.062239 0.073342 0.006184 -0.017620 0.115587 0.012340 0.057953 0.526098 0.000065 -0.009155 -0.028603 0.202021 -0.004583 0.415587 0.068793 0.028309 -0.002279 -0.042670 0.015542 0.450711 -0.014778 0.015154 0.008619 -0.080164 0.104974 0.105816 0.001338 -0.104068 -0.626374 -0.047189 0.020420 0.014341 -0.035358 0.000828 0.047656 0.005076 0.063813 -0.115575 -0.053436 -0.031668 0.007175 -0.002390 -0.104819 -0.080705 -0.003217 -0.009889 -0.002200 0.020784 -0.010719 -0.010566 -0.153771 0.034774 -0.055663 0.026266 0.019111 0.001090 -0.013571 0.117118 -0.113351 -0.024448 -0.107221 0.046363 -0.007017 0.012534 0.053784 0.047509 -0.020883 -0.001762 0.006557 0.102070 -0.116842 -0.048065 -0.036978 0.005342 -0.009103 -0.055894 -0.065319 0.003871 -0.011545 0.042305 0.000108 0.044427 0.664386 0.000202 0.001385 -0.018380 -0.073793 0.540082 -0.240127 0.037126 0.045417 0.024343 0.207733 0.134782 -0.517742 -0.006948 -0.044009 0.033227 0.015709 -0.005994 0.015861 0.215078 -0.224936 -0.130553 -0.037915 0.045416 0.075144 0.004908 -0.117277 -0.003614 -0.002704 -0.063931 0.033058 0.033544 0.009676 -0.000558 0.053689 0.455798 0.383842 0.000727 -0.015074 0.033062 -0.249006 0.083611 -0.475820 0.006635 -0.038986 0.014092 0.009934 0.015623 0.002450 -0.215313 0.178398 -0.125724 0.013467 0.029172 0.016994 0.009249 -0.045038 -0.046328 -0.090074 0.063169 1.074470 -0.046494 0.006536 0.000542 -0.127109 -0.545614 0.121916 0.025075 0.000727 -0.036156 -0.176396 -0.110722 -0.660029 0.015956 0.010226 0.003883 -0.025481 -0.003142 0.005641 0.152380 0.271228 -0.364120 0.005121 -0.056397 -0.101859 -0.001285 0.075589 0.165641 0.122723 -0.014014 0.106184 0.028327 -0.004496 0.072901 0.148010 -0.500506 -0.173377 -0.021241 -0.004303 -0.019029 0.278633 -0.041564 -0.567220 -0.000518 0.003085 0.012607 0.034493 -0.003299 -0.005605 -0.150224 -0.231295 -0.434597 -0.008490 0.045734 0.057408 -0.025312 0.031418 0.019019 0.014390 -0.044284 -0.208734 0.017722 -0.028425 -0.069681 -0.008326 0.009531 0.049657 0.112812 -0.023678 0.048028 0.017505 -0.050477 -0.022935 -0.004487 -0.071321 0.281214 -0.029981 0.015506 -0.097202 -0.031808 -0.009094 -0.069345 -0.014547 -0.067172 0.007012 -0.001753 -0.009288 -0.001147 0.031058 0.029764 -0.026523 -0.091776 -0.057345 0.060718 0.020537 0.073942 -0.036157 -0.008580 0.020853 0.025124 0.005323 0.052610 0.072816 0.005624 -0.017916 0.137316 0.012704 0.058247 0.526298 0.001119 -0.006585 -0.028442 0.201642 -0.003829 0.415183 0.076677 0.031919 0.002578 -0.042967 0.015161 0.450557 -0.012789 0.016996 0.010809 -0.080035 0.106237 0.104343 0.001528 -0.103421 -0.625844 -0.054595 0.021523 0.019803 -0.037263 0.002425 0.043917 0.004392 0.064482 -0.115509 -0.058379 -0.032196 0.011226 -0.002523 -0.104135 -0.080679 -0.002564 -0.009394 -0.001869 0.019809 -0.009273 -0.010833 -0.153407 0.035070 -0.055810 0.026604 0.020004 0.001276 -0.013623 0.116088 -0.114588 -0.024706 -0.109273 0.047173 -0.005418 0.012382 0.059202 0.053932 -0.025040 -0.008257 0.006565 0.101575 -0.117142 -0.045148 -0.034980 -0.000952 -0.009100 -0.056083 -0.065324 0.002690 -0.010400 0.039011 0.001068 0.042817 0.664506 -0.002261 0.002792 -0.021040 -0.073523 0.539321 -0.240894 0.036615 0.045359 0.018602 0.207591 0.137101 -0.517938 -0.008274 -0.042787 0.028748 0.007574 -0.009884 0.021365 0.215073 -0.224835 -0.130177 -0.037420 0.047326 0.078708 0.005703 -0.114554 0.004197 -0.003392 -0.066499 0.034251 0.037480 0.010206 0.000407 0.053617 0.455074 0.385048 0.003393 -0.013921 0.033055 -0.248686 0.083240 -0.476139 0.008276 -0.042459 0.014274 0.016748 0.014099 0.006277 -0.215232 0.178596 -0.125239 0.012190 0.028976 0.023043 0.009814 -0.045273 -0.046804 -0.090166 0.064402 1.073540 -0.049980 0.007938 0.004187 -0.127589 -0.544441 0.120573 0.023416 -0.001084 -0.057767 -0.176615 -0.112776 -0.657177 0.014024 0.008340 -0.002453 -0.031307 -0.004063 0.011874 0.156402 0.271203 -0.363010 0.008137 -0.059775 -0.112638 -0.057061 0.147787 0.505790 0.122192 -0.011968 0.105000 0.029929 -0.003143 0.060099 0.149988 -0.499278 -0.172120 -0.021980 -0.005226 -0.019954 0.278824 -0.041081 -0.566771 -0.001748 0.002131 0.016078 0.040166 -0.005925 -0.004065 -0.154270 -0.231499 -0.434361 -0.006716 0.042565 0.058847 -0.030862 0.030492 0.023789 0.023976 -0.054664 -0.237730 0.019546 -0.027341 -0.067785 -0.012522 0.009854 0.045562 0.102268 -0.018134 0.040503 0.018682 -0.038817 -0.015543 -0.004400 -0.071703 0.281533 -0.030969 0.014634 -0.097895 -0.026463 -0.009495 -0.057715 -0.024388 -0.063081 0.006959 -0.005987 -0.007570 0.004314 0.033761 0.034266 -0.030945 -0.066231 -0.045231 0.065379 0.012141 0.066566 -0.034925 -0.005098 0.018049 0.025816 0.006241 0.029185 0.068344 0.006846 -0.013394 0.134938 0.013956 0.058662 0.527158 0.003790 -0.004593 -0.026542 0.202206 -0.003820 0.415702 0.070895 0.030982 0.006043 -0.042024 0.016060 0.450762 -0.008695 0.018513 0.011677 -0.078258 0.107696 0.104643 0.001541 -0.103796 -0.623512 -0.054077 0.019230 0.023517 -0.036714 0.002040 0.034855 0.004307 0.063880 -0.115713 -0.053820 -0.028105 0.016349 -0.002810 -0.104568 -0.079278 -0.002362 -0.008983 0.000285 0.015957 -0.006376 -0.008185 -0.153410 0.034654 -0.054888 0.023334 0.014133 0.000724 -0.014927 0.116425 -0.114454 -0.024610 -0.111438 0.048288 -0.002475 0.010193 0.057909 0.054579 -0.027454 -0.010149 0.006718 0.101847 -0.117726 -0.036889 -0.034534 0.000038 -0.009398 -0.056285 -0.065131 0.001370 -0.008118 0.031067 0.003693 0.041324 0.666431 -0.006686 0.003348 -0.020481 -0.075605 0.539673 -0.240015 0.029656 0.035832 0.005041 0.208012 0.135610 -0.518642 -0.007617 -0.038117 0.020408 -0.007069 -0.014936 0.024592 0.215076 -0.224819 -0.129775 -0.034499 0.046517 0.077598 0.004373 -0.086208 0.018560 -0.005516 -0.067593 0.035737 0.038584 0.006656 0.001768 0.056322 0.456021 0.384899 0.004175 -0.011129 0.031735 -0.248838 0.083624 -0.478396 0.009740 -0.045513 0.020516 0.027215 0.011600 0.009409 -0.214766 0.178958 -0.125492 0.009379 0.022912 0.028867 0.008938 -0.038986 -0.042760 -0.090252 0.064182 1.078614 -0.045582 0.008154 0.000248 -0.128070 -0.545283 0.119121 0.016216 0.002652 -0.073861 -0.176357 -0.111467 -0.660169 0.013512 0.009048 -0.004616 -0.031558 -0.005759 0.020382 0.152196 0.271011 -0.360718 0.016153 -0.062609 -0.110188 -0.073548 0.155485 0.531927 0.121752 -0.011587 0.105259 0.020485 0.001783 0.038031 0.151391 -0.498766 -0.172442 -0.015242 -0.007510 -0.023325 0.278804 -0.041396 -0.567031 -0.003555 0.003041 0.020132 0.035636 -0.007582 -0.002623 -0.150006 -0.231949 -0.438051 -0.002208 0.030909 0.058380 -0.029920 0.023498 0.026676 0.054368 -0.088468 -0.331278 0.024894 -0.024258 -0.062193 -0.025915 0.007009 0.031949 0.075150 -0.012867 0.018909 0.015865 -0.005465 0.005778 -0.004270 -0.072865 0.282435 -0.035075 0.012184 -0.098930 -0.008973 -0.013477 -0.031496 -0.038434 -0.048814 0.002301 -0.017256 -0.002595 0.025257 0.042778 0.049142 -0.050334 0.005207 -0.011814 0.077629 -0.011839 0.045542 -0.031049 0.004947 0.010821 0.029417 0.006891 -0.040684 0.054038 0.005749 -0.000048 0.124956 0.015448 0.060074 0.529266 0.012669 0.000600 -0.023037 0.202090 -0.002442 0.414812 0.055678 0.031449 0.017146 -0.041253 0.015923 0.451288 0.004350 0.022438 0.016183 -0.073952 0.112800 0.102406 0.000541 -0.103652 -0.618419 -0.056172 0.012169 0.035182 -0.035025 0.002702 0.011310 0.002873 0.062753 -0.119357 -0.043418 -0.017335 0.032407 -0.003615 -0.105095 -0.075195 -0.001984 -0.007997 0.005715 0.004414 0.002276 -0.000538 -0.153350 0.034544 -0.052552 0.010544 -0.001632 -0.001353 -0.019444 0.116963 -0.114082 -0.024665 -0.119443 0.051298 0.005624 0.004170 0.053217 0.057286 -0.035481 -0.020675 0.006440 0.101417 -0.119334 -0.010862 -0.030660 -0.000519 -0.010351 -0.057412 -0.065103 -0.003166 -0.002095 0.005696 0.008731 0.036520 0.670342 -0.015461 0.007345 -0.018839 -0.081064 0.542622 -0.237794 0.010778 -0.002517 -0.031403 0.207814 0.139617 -0.520121 -0.005382 -0.020092 0.000538 -0.044344 -0.031019 0.035825 0.214395 -0.224969 -0.128719 -0.022796 0.039595 0.070916 0.003861 0.009258 0.051858 -0.010092 -0.071797 0.041552 0.039099 0.001193 0.000193 0.062075 0.454509 0.385709 0.006850 -0.000922 0.014337 -0.249029 0.083452 -0.484871 0.009637 -0.047949 0.034240 0.048921 0.005581 0.014130 -0.214057 0.180145 -0.124587 0.001571 0.005175 0.043874 0.010644 -0.018798 -0.027888 -0.096923 0.064606 1.085577 -0.025555 0.004427 0.005544 -0.130820 -0.549882 0.113347 0.000248 0.016458 -0.097355 -0.177359 -0.115479 -0.659425 0.004954 0.009826 -0.014264 -0.024024 -0.008454 0.039926 0.154771 0.271027 -0.356548 0.034377 -0.058508 -0.071254 -0.115952 0.170801 0.597933 0.125962 -0.009310 0.105064 -0.016478 0.016130 -0.014203 0.157738 -0.493466 -0.168884 0.007340 -0.012201 -0.025740 0.279235 -0.041320 -0.567101 -0.003900 0.003033 0.028408 0.020007 -0.016015 0.008674 -0.152815 -0.233494 -0.442991 0.005646 -0.007451 0.051604 -0.023390 0.001947 0.029243 0.124447 -0.164782 -0.536678 0.035026 -0.018208 -0.052413 -0.055705 0.006059 0.001343 0.020749 0.006442 -0.023464 0.010437 0.054429 0.053460 -0.003987 -0.075322 0.284006 -0.042591 0.007693 -0.102363 0.024535 -0.014428 0.022338 -0.069795 -0.019684 0.003511 -0.043631 0.010557 0.064605 0.061732 0.078076 -0.084473 0.144861 0.059378 0.102379 -0.059819 0.002561 -0.022352 0.023491 -0.004414 0.033341 0.005013 -0.180560 0.029913 0.005056 0.025604 0.103553 0.017329 0.062119 0.532591 0.030750 0.010853 -0.015023 0.201317 -0.000652 0.412633 0.023187 0.031428 0.042238 -0.040232 0.015709 0.452038 0.030405 0.030638 0.024924 -0.065460 0.122763 0.097902 -0.001174 -0.102789 -0.608786 -0.059908 -0.002919 0.058689 -0.028635 0.005017 -0.036578 -0.000780 0.060738 -0.127980 -0.020638 0.003520 0.065142 -0.005610 -0.106361 -0.067950 -0.000433 -0.006081 0.014569 -0.016916 0.020745 0.012766 -0.152637 0.034341 -0.047993 -0.015147 -0.035618 -0.006379 -0.028755 0.117912 -0.114281 -0.024050 -0.135860 0.056665 0.024578 -0.008111 0.041298 0.062585 -0.049916 -0.040463 0.006005 0.100075 -0.122516 0.045350 -0.023048 -0.003066 -0.012194 -0.059451 -0.066032 -0.016374 0.010290 -0.046978 0.018060 0.025018 0.675777 -0.033431 0.010847 -0.013856 -0.086849 0.547955 -0.235319 -0.027707 -0.070616 -0.092952 0.207509 0.143997 -0.523287 -0.001769 0.004604 -0.028915 -0.114996 -0.062786 0.062723 0.213655 -0.225852 -0.126613 -0.000405 0.032909 0.054157 0.005616 0.191670 0.122180 -0.018183 -0.084408 0.051456 0.041252 -0.009080 -0.000942 0.068339 0.449248 0.389557 0.014414 0.014278 -0.019580 -0.248828 0.083797 -0.493534 0.006563 -0.050929 0.054480 0.089031 -0.003008 0.026254 -0.213200 0.181719 -0.121638 -0.015151 -0.032065 0.071326 0.017629 0.025198 0.004183 -0.111093 0.068755 1.093781 0.008933 -0.000249 0.022065 -0.133915 -0.558803 0.101541 -0.033871 0.045456 -0.149621 -0.179464 -0.119777 -0.656651 -0.016089 0.012170 -0.039070 -0.008418 -0.017100 0.080289 0.157750 0.271846 -0.350360 0.070682 -0.052113 -0.003570 -0.190681 0.210274 0.739393 0.135770 -0.000466 0.104250 -0.088607 0.026532 -0.106385 0.167189 -0.481360 -0.166531 0.047566 -0.022915 -0.032222 0.280401 -0.041259 -0.567370 -0.005508 0.000600 0.039056 -0.009251 -0.032980 0.030624 -0.154580 -0.235602 -0.448758 0.016496 -0.074931 0.032922 -0.007241 -0.039319 0.037024 0.022359 -0.037987 0.087301 0.036096 -0.016271 -0.047505 -0.053500 0.004146 -0.004810 0.005161 0.009961 -0.027888 0.005345 0.056986 0.060309 -0.004149 -0.075897 0.283157 -0.043316 0.007337 -0.102420 0.031247 -0.014418 0.033467 -0.070570 -0.015035 0.001814 -0.044179 0.012225 0.068094 0.056966 0.074482 -0.083338 0.159857 0.068086 0.098775 -0.062089 -0.004590 -0.020155 0.027320 -0.006964 0.025009 0.004073 -0.161128 0.022481 0.002223 0.025453 0.077843 0.017901 0.062596 0.533623 0.025442 0.009584 -0.010326 0.200540 -0.000423 0.411832 0.011887 0.029366 0.043996 -0.039384 0.016153 0.452236 0.036275 0.030726 0.019931 -0.062740 0.124564 0.097164 -0.001811 -0.102638 -0.606742 -0.054197 -0.003674 0.061151 -0.023123 0.004717 -0.045972 -0.002367 0.059609 -0.128435 -0.008410 0.008770 0.066855 -0.006475 -0.107663 -0.063714 -0.000402 -0.005470 0.017856 -0.021394 0.022257 0.015771 -0.152241 0.033913 -0.047011 -0.012557 -0.041184 -0.006799 -0.031015 0.119860 -0.113381 -0.023629 -0.139263 0.057702 0.027285 -0.011001 0.034200 0.052462 -0.047852 -0.042044 0.005788 0.099790 -0.123702 0.053264 -0.012375 -0.004140 -0.012831 -0.059982 -0.066948 -0.015993 0.012160 -0.054850 0.020040 0.023596 0.677272 -0.026073 0.007661 -0.012351 -0.088382 0.550624 -0.232478 -0.035102 -0.071785 -0.083330 0.207471 0.141315 -0.524743 0.002332 0.008138 -0.033210 -0.117274 -0.058486 0.061088 0.214071 -0.226024 -0.126922 0.005977 0.028517 0.049935 0.006069 0.181187 0.123309 -0.019994 -0.084840 0.053572 0.030662 -0.008788 0.004802 0.069913 0.449591 0.389663 0.015034 0.013990 -0.023352 -0.249119 0.085362 -0.496437 0.003788 -0.044587 0.053808 0.085096 -0.003594 0.024391 -0.213663 0.181930 -0.122237 -0.018696 -0.032256 0.070855 0.014016 0.033496 0.010461 -0.114126 0.069288 1.095642 0.016452 -0.002230 0.030289 -0.134685 -0.563057 0.098654 -0.038226 0.045734 -0.123485 -0.179482 -0.117025 -0.657662 -0.018306 0.014498 -0.039566 0.000456 -0.016882 0.082387 0.154004 0.272242 -0.351155 0.066820 -0.044037 0.013876 -0.073642 0.045891 0.094925 0.138692 -0.000211 0.103628 -0.096913 0.025809 -0.101389 0.168347 -0.481242 -0.165547 0.050692 -0.020294 -0.028801 0.279924 -0.042509 -0.568051 -0.001528 0.001306 0.037454 -0.020277 -0.029400 0.033719 -0.151017 -0.235887 -0.454230 0.013628 -0.079863 0.030007 -0.002102 -0.046102 0.034824 0.003756 -0.015062 0.196059 0.036187 -0.015901 -0.047214 -0.053727 0.003630 -0.009087 0.002479 0.011110 -0.028311 0.004529 0.057095 0.061611 -0.004249 -0.075943 0.282694 -0.043503 0.007402 -0.102899 0.032265 -0.013657 0.034259 -0.070791 -0.014067 0.002229 -0.044281 0.013203 0.068438 0.056379 0.074169 -0.083371 0.162364 0.070033 0.099913 -0.062428 -0.005473 -0.019771 0.027717 -0.007672 0.023007 0.003654 -0.158757 0.020793 0.001660 0.025697 0.072873 0.017014 0.062808 0.533434 0.024330 0.009684 -0.009350 0.200554 -0.000495 0.410822 0.009866 0.028675 0.043862 -0.039449 0.015693 0.452443 0.037183 0.030560 0.019040 -0.062001 0.125280 0.096745 -0.001776 -0.102462 -0.606792 -0.052447 -0.004390 0.061080 -0.021455 0.004760 -0.048819 -0.002787 0.059590 -0.128778 -0.006062 0.010381 0.066767 -0.006976 -0.107965 -0.063509 -0.000469 -0.005432 0.017570 -0.022417 0.022598 0.015797 -0.152260 0.034238 -0.047049 -0.012401 -0.042234 -0.006756 -0.031845 0.120362 -0.113666 -0.023098 -0.140003 0.057373 0.027583 -0.011107 0.032315 0.050671 -0.047723 -0.042907 0.005801 0.099771 -0.124195 0.054174 -0.010854 -0.003530 -0.012932 -0.059992 -0.067650 -0.016115 0.012630 -0.056210 0.020029 0.023941 0.676724 -0.025553 0.007719 -0.012721 -0.089133 0.550353 -0.233779 -0.035639 -0.070489 -0.081437 0.207266 0.141643 -0.525147 0.002574 0.007242 -0.033081 -0.116732 -0.060014 0.063398 0.214119 -0.225916 -0.127410 0.006117 0.030057 0.049402 0.006221 0.179776 0.125195 -0.019992 -0.083945 0.053094 0.030412 -0.007937 0.004240 0.070566 0.447914 0.389732 0.014987 0.013291 -0.023741 -0.249044 0.085288 -0.497216 0.004819 -0.043949 0.053555 0.084635 -0.002807 0.026426 -0.213855 0.181995 -0.122295 -0.017828 -0.033142 0.070568 0.013852 0.030739 0.009227 -0.115032 0.069173 1.095846 0.015281 -0.001345 0.033619 -0.135820 -0.563022 0.098383 -0.038038 0.044633 -0.120462 -0.179571 -0.117286 -0.657882 -0.017770 0.014121 -0.040484 0.000380 -0.017553 0.084755 0.155193 0.272356 -0.353162 0.066005 -0.044851 0.014368 -0.054441 0.021656 -0.003621 0.139708 -0.000977 0.103567 -0.097085 0.024689 -0.100014 0.169436 -0.479540 -0.166455 0.049847 -0.020084 -0.029832 0.279916 -0.042318 -0.568297 -0.001030 0.001327 0.037163 -0.019746 -0.030813 0.036609 -0.151464 -0.235709 -0.451964 0.012895 -0.079736 0.027732 -0.001179 -0.046663 0.036135 0.008738 -0.023822 0.164770 0.034708 -0.015655 -0.043972 -0.040056 0.002241 -0.004209 0.004739 0.007720 -0.019907 0.002669 0.043529 0.057469 -0.004090 -0.075900 0.282154 -0.041837 0.008020 -0.101345 0.026561 -0.012656 0.028970 -0.063480 -0.018669 0.002006 -0.039337 0.012565 0.061722 0.049226 0.064169 -0.073595 0.140246 0.057776 0.085640 -0.050994 -0.000392 -0.019780 0.025520 -0.005303 0.015254 0.003653 -0.118746 0.016844 -0.000812 0.018212 0.063188 0.018183 0.062661 0.533781 0.014043 0.007232 -0.006818 0.199657 0.000600 0.411264 0.009468 0.025903 0.040656 -0.039718 0.015500 0.452222 0.036768 0.029075 0.013744 -0.061876 0.124153 0.096481 -0.002011 -0.101999 -0.607412 -0.047573 -0.000396 0.058648 -0.017646 0.004523 -0.045193 -0.002813 0.059003 -0.126856 -0.001594 0.008614 0.059341 -0.006636 -0.108900 -0.060166 -0.000715 -0.005274 0.018719 -0.022146 0.019336 0.015258 -0.151557 0.034264 -0.046659 -0.003470 -0.037773 -0.005573 -0.030968 0.122083 -0.112550 -0.023061 -0.138966 0.057813 0.025619 -0.009202 0.030776 0.043386 -0.043824 -0.039435 0.005884 0.099058 -0.123497 0.045353 -0.004530 -0.004655 -0.012445 -0.060613 -0.067079 -0.012989 0.011750 -0.050835 0.020261 0.025010 0.679023 -0.017512 0.004715 -0.007010 -0.087969 0.550683 -0.229736 -0.037078 -0.058846 -0.066527 0.207590 0.143587 -0.524666 0.005314 0.010119 -0.033855 -0.104399 -0.050137 0.056852 0.214438 -0.226037 -0.127103 0.007465 0.025381 0.044991 0.004943 0.133934 0.118882 -0.019818 -0.083615 0.053145 0.021704 -0.009429 0.008452 0.069854 0.449315 0.389989 0.014957 0.010678 -0.022154 -0.249079 0.085402 -0.496776 0.003027 -0.038484 0.050035 0.077072 -0.002439 0.025584 -0.213718 0.182134 -0.122477 -0.017680 -0.024280 0.063869 0.008884 0.033185 0.009503 -0.114908 0.068178 1.093230 0.015138 -0.001499 0.031318 -0.136479 -0.564075 0.098197 -0.039905 0.036082 -0.102275 -0.179223 -0.118910 -0.652057 -0.019709 0.013424 -0.041809 0.002826 -0.015390 0.079771 0.158518 0.272541 -0.351377 0.058935 -0.038914 0.017229 -0.051003 0.022997 0.012341 0.140360 -0.000818 0.102798 -0.087178 0.025401 -0.086600 0.170210 -0.481610 -0.163842 0.045713 -0.016278 -0.024606 0.280008 -0.042422 -0.568144 0.002328 0.002443 0.035959 -0.023198 -0.023377 0.032959 -0.154906 -0.235811 -0.455035 0.007431 -0.072812 0.028867 0.000194 -0.045398 0.035872 0.022675 -0.049575 0.071154 0.029160 -0.014672 -0.035007 -0.000352 -0.000600 -0.000684 0.007533 0.000983 0.001307 0.001602 -0.000619 0.041489 -0.004359 -0.075907 0.280103 -0.037201 0.010417 -0.096659 0.008358 -0.007639 0.011567 -0.038230 -0.028731 0.004076 -0.020339 0.012441 0.042095 0.023860 0.033287 -0.039017 0.074171 0.019775 0.044401 -0.015604 0.014686 -0.018572 0.018403 0.000521 -0.006543 0.004070 0.006609 0.005387 -0.008499 -0.002916 0.030858 0.018727 0.061903 0.533979 -0.016109 -0.001512 0.001501 0.198993 0.001103 0.412393 0.007465 0.018883 0.030102 -0.040283 0.015615 0.452380 0.033924 0.024354 -0.002609 -0.061388 0.121329 0.098540 -0.002936 -0.101883 -0.607914 -0.032643 0.010697 0.051805 -0.005787 0.003604 -0.039892 -0.003961 0.056904 -0.121160 0.010864 0.004540 0.038345 -0.006982 -0.112071 -0.051063 -0.002373 -0.005820 0.021503 -0.019712 0.008569 0.012497 -0.151264 0.033983 -0.045129 0.023414 -0.024113 -0.001443 -0.029933 0.127224 -0.109038 -0.022405 -0.135855 0.058357 0.019618 -0.007023 0.025500 0.017249 -0.030982 -0.028305 0.005527 0.098564 -0.121861 0.016399 0.013976 -0.009677 -0.012220 -0.061487 -0.066986 -0.004020 0.009308 -0.031596 0.019056 0.024752 0.683652 0.004322 -0.005371 0.009765 -0.084954 0.550733 -0.223637 -0.031680 -0.015365 -0.006556 0.207586 0.142661 -0.524578 0.005755 0.010686 -0.027925 -0.050565 -0.020713 0.035879 0.215178 -0.226570 -0.127260 0.012537 0.013631 0.028384 0.002355 -0.021759 0.087537 -0.018670 -0.081496 0.052482 -0.004032 -0.012775 0.017671 0.066573 0.449334 0.394451 0.014780 -0.002999 -0.016587 -0.249579 0.086436 -0.496478 -0.000280 -0.023210 0.035759 0.047011 0.001548 0.026098 -0.214621 0.181813 -0.122920 -0.015000 0.003886 0.037165 -0.007709 0.029678 0.006359 -0.116369 0.068361 1.087579 0.009211 -0.001314 0.023947 -0.134641 -0.565960 0.096643 -0.037434 0.006624 -0.030344 -0.179060 -0.118279 -0.650146 -0.022056 0.013635 -0.028011 0.006338 -0.010104 0.058779 0.157405 0.273122 -0.349415 0.027324 -0.018606 0.015290 -0.040760 0.036806 0.082705 0.143195 -0.001424 0.101056 -0.043016 0.020562 -0.022807 0.166365 -0.483874 -0.159089 0.029042 -0.003123 -0.012719 0.279503 -0.043328 -0.568963 0.013931 0.006582 0.024844 -0.026039 -0.003242 0.025171 -0.154707 -0.235070 -0.458413 -0.009697 -0.041366 0.026718 0.007992 -0.032772 0.031731 0.049208 -0.098840 -0.115152 0.018420 -0.012380 -0.017918 0.074632 -0.013459 0.014912 0.007974 -0.015121 0.044182 -0.007529 -0.089465 0.017932 -0.004298 -0.075712 0.275571 -0.027144 0.015051 -0.088342 -0.021688 0.000554 -0.020432 0.004089 -0.050587 0.008980 0.015069 0.017646 -0.000231 -0.017047 -0.037054 0.023145 -0.058255 -0.054119 -0.037674 0.056110 0.047695 -0.017478 0.006577 0.012956 -0.052997 0.008251 0.270410 -0.017170 -0.025419 -0.048992 -0.032506 0.020099 0.060658 0.534177 -0.075727 -0.016315 0.019105 0.198178 0.002425 0.414289 0.001727 0.002802 0.009486 -0.040799 0.015946 0.452551 0.028441 0.014872 -0.035848 -0.059923 0.116364 0.102605 -0.004631 -0.101421 -0.608710 -0.002396 0.033444 0.035764 0.018651 0.001773 -0.028210 -0.006251 0.053049 -0.109733 0.035604 -0.003445 -0.004974 -0.006968 -0.118432 -0.034084 -0.004445 -0.006207 0.026475 -0.014527 -0.012978 0.007005 -0.150244 0.033831 -0.042423 0.073326 0.005737 0.006707 -0.027773 0.138133 -0.103170 -0.020501 -0.129732 0.059067 0.006622 -0.001270 0.013233 -0.031803 -0.002739 -0.006795 0.005342 0.097974 -0.119000 -0.035557 0.045282 -0.017642 -0.011242 -0.063043 -0.067210 0.014408 0.004783 0.007627 0.016968 0.024873 0.692101 0.054291 -0.022312 0.044701 -0.078574 0.551536 -0.212554 -0.027248 0.069969 0.103870 0.207707 0.140654 -0.524299 0.007395 0.011253 -0.017719 0.040298 0.032803 0.000738 0.216898 -0.227368 -0.128493 0.017502 -0.013581 -0.008160 -0.000777 -0.337456 0.026367 -0.015819 -0.077321 0.048253 -0.054132 -0.018019 0.034414 0.060638 0.449108 0.402531 0.010986 -0.027517 -0.005771 -0.249685 0.088514 -0.495369 -0.005108 0.009355 0.003331 -0.015640 0.006983 0.031426 -0.215628 0.181281 -0.124595 -0.009118 0.056740 -0.010734 -0.035698 0.018719 -0.002229 -0.120129 0.068429 1.077593 0.000072 -0.003663 0.013752 -0.130811 -0.570024 0.093885 -0.032495 -0.048786 0.104622 -0.178615 -0.116285 -0.646945 -0.026287 0.013819 -0.000267 0.013431 0.002069 0.017569 0.155641 0.274597 -0.348289 -0.037712 0.021390 0.016687 -0.023963 0.064039 0.233598 0.150578 -0.002119 0.096745 0.042889 0.014168 0.093375 0.159887 -0.487048 -0.150901 -0.000201 0.021509 0.013422 0.279255 -0.044550 -0.570661 0.034987 0.019900 0.006165 -0.030156 0.033649 0.011277 -0.152931 -0.233053 -0.464826 -0.042474 0.023527 0.025519 0.025214 -0.009858 0.024766 0.035135 -0.072513 -0.014581 0.023701 -0.013362 -0.026344 0.035637 -0.008168 0.005475 0.009799 -0.007016 0.020281 -0.002416 -0.045039 0.028431 -0.004183 -0.075679 0.278473 -0.032097 0.013180 -0.092106 -0.005348 -0.004337 0.000071 -0.025161 -0.038516 0.006162 -0.005477 0.016421 0.024556 0.005409 -0.001328 -0.009601 0.014367 -0.013502 0.005624 0.016195 0.030505 -0.018820 0.013554 0.006043 -0.027849 0.004694 0.124217 -0.005482 -0.015468 -0.024087 0.000762 0.019126 0.061142 0.533910 -0.043426 -0.008754 0.009771 0.200676 0.000037 0.414427 0.004080 0.010443 0.018814 -0.039742 0.017498 0.452828 0.031033 0.019795 -0.016412 -0.060929 0.118888 0.103206 -0.004093 -0.102805 -0.606591 -0.017664 0.021262 0.045247 0.005985 0.002257 -0.034365 -0.005228 0.054962 -0.115553 0.021581 0.001066 0.018956 -0.006875 -0.114707 -0.042913 -0.003247 -0.006619 0.024746 -0.016952 -0.001878 0.009678 -0.151640 0.033172 -0.043550 0.046288 -0.011565 0.002162 -0.028819 0.132046 -0.105447 -0.021404 -0.132387 0.058944 0.012183 -0.005029 0.019429 -0.004421 -0.018026 -0.018568 0.005339 0.099768 -0.120136 -0.007275 0.030277 -0.013528 -0.012279 -0.061384 -0.067388 0.004482 0.007692 -0.013567 0.018032 0.021159 0.687929 0.026320 -0.010283 0.025263 -0.080856 0.550706 -0.220879 -0.030386 0.022623 0.040330 0.207330 0.137573 -0.524882 0.003626 0.011995 -0.022496 -0.008005 0.005590 0.019840 0.215887 -0.226827 -0.127767 0.014368 0.002823 0.007887 0.000226 -0.166853 0.057214 -0.017258 -0.080554 0.049519 -0.027604 -0.014304 0.022425 0.062531 0.447293 0.399792 0.012004 -0.014139 -0.015491 -0.249447 0.088263 -0.495758 -0.002131 -0.008113 0.018995 0.019106 0.003478 0.033471 -0.214989 0.181452 -0.123268 -0.012074 0.029593 0.013378 -0.022439 0.025127 0.003615 -0.120100 0.071133 1.084559 0.003451 -0.002479 0.014232 -0.129674 -0.567090 0.095789 -0.035650 -0.020542 0.032955 -0.179426 -0.113593 -0.659760 -0.022889 0.013937 -0.003080 0.008310 -0.003782 0.039327 0.148690 0.273913 -0.349038 -0.002386 -0.001432 0.018234 -0.031338 0.052026 0.156039 0.148264 -0.000699 0.099890 0.000960 0.014919 0.029880 0.159781 -0.482578 -0.155362 0.016053 0.008614 -0.002763 0.279507 -0.044419 -0.570294 0.022374 0.014094 0.015761 -0.024400 0.013291 0.021706 -0.144943 -0.233466 -0.458603 -0.023749 -0.010330 0.022325 0.017808 -0.022087 0.029937 -0.001541 -0.023870 0.195273 0.021541 -0.012557 -0.025353 0.030810 -0.007603 0.006842 0.001548 -0.001587 0.027834 -0.004962 -0.032701 0.020718 -0.003927 -0.075579 0.276648 -0.029698 0.013723 -0.093212 -0.004429 -0.004342 -0.000568 -0.010062 -0.030482 0.006136 0.003101 0.014051 0.013326 -0.001640 -0.012869 0.003307 -0.003262 -0.011650 0.001948 0.025259 0.021657 -0.012022 0.006314 0.001842 -0.016790 -0.000772 0.093604 0.002114 -0.016468 -0.015837 -0.011698 0.019825 0.061281 0.533213 -0.032410 -0.011260 0.014149 0.198795 0.002126 0.412660 0.000911 0.005100 0.017706 -0.040146 0.016074 0.451968 0.026301 0.015312 -0.014873 -0.060852 0.118142 0.100892 -0.004224 -0.101667 -0.609405 -0.009220 0.017417 0.037265 0.008410 0.003390 -0.027651 -0.004374 0.053990 -0.113210 0.014797 -0.000298 0.014488 -0.006593 -0.116616 -0.041371 -0.003653 -0.006753 0.024962 -0.011473 -0.005376 0.005086 -0.150443 0.034171 -0.044423 0.032318 -0.007889 0.007152 -0.027952 0.134889 -0.105505 -0.021093 -0.130444 0.058606 0.011023 0.000068 0.012494 -0.006757 -0.011750 -0.010040 0.005571 0.098741 -0.120477 -0.011276 0.015266 -0.004092 -0.011599 -0.062373 -0.068318 0.005411 0.006746 -0.008090 0.017421 0.025566 0.689388 0.024736 -0.010407 0.024017 -0.079740 0.550844 -0.222876 -0.024222 0.018411 0.043453 0.207559 0.140706 -0.524497 0.003855 0.012364 -0.022221 -0.013142 0.005765 0.013274 0.216402 -0.226743 -0.128540 0.014479 0.005060 0.004259 0.002525 -0.126601 0.047539 -0.016038 -0.078331 0.048153 -0.023956 -0.011185 0.021693 0.061672 0.448394 0.402804 0.012437 -0.013114 -0.014419 -0.248949 0.088323 -0.496330 -0.000408 -0.006303 0.018681 0.022135 -0.001170 0.024935 -0.214982 0.181459 -0.124082 -0.009455 0.027408 0.008926 -0.021461 0.023215 -0.002594 -0.119824 0.068339 1.077322 0.002376 -0.004626 0.019958 -0.132389 -0.567976 0.097632 -0.033434 -0.019346 0.046212 -0.178706 -0.115907 -0.648784 -0.022214 0.013017 -0.010473 0.010483 -0.004228 0.035060 0.155842 0.274320 -0.350151 -0.002576 -0.002166 0.016876 0.012070 0.002149 -0.055272 0.148952 -0.001807 0.098053 0.002342 0.015482 0.044485 0.163133 -0.483924 -0.152990 0.010730 0.009055 0.002342 0.279791 -0.044293 -0.570561 0.024179 0.014376 0.017304 -0.029626 0.016449 0.014698 -0.152054 -0.233579 -0.461859 -0.019232 -0.012029 0.025726 0.016182 -0.021056 0.025170 -0.046918 0.034445 0.457374 0.018360 -0.011505 -0.022010 0.025119 -0.007191 0.008463 -0.000531 0.002417 0.036980 -0.007288 -0.022872 0.013631 -0.004034 -0.075617 0.276083 -0.026969 0.014719 -0.091790 -0.006634 -0.004154 -0.003253 0.007736 -0.020774 0.007494 0.012951 0.008790 -0.000451 -0.009610 -0.022241 0.020468 -0.024974 -0.010143 -0.000371 0.035532 0.011911 -0.002903 -0.003422 -0.003395 -0.002063 -0.007351 0.057573 0.012033 -0.016053 -0.007156 -0.026617 0.020005 0.060985 0.533268 -0.018242 -0.013982 0.020687 0.198490 0.002517 0.413292 -0.003448 -0.001678 0.014926 -0.040217 0.015999 0.451992 0.021086 0.009736 -0.012132 -0.060940 0.116574 0.102522 -0.004780 -0.101617 -0.609756 0.000139 0.012743 0.029633 0.010723 0.004080 -0.018900 -0.003802 0.052433 -0.108591 0.005928 -0.001813 0.010913 -0.006698 -0.118554 -0.037549 -0.004610 -0.007755 0.027826 -0.004489 -0.009320 0.000410 -0.150229 0.034326 -0.043766 0.014419 -0.006084 0.013170 -0.027188 0.137481 -0.102735 -0.021131 -0.127546 0.059348 0.009256 0.004327 0.003923 -0.008153 -0.002517 0.000374 0.005471 0.098753 -0.119324 -0.015992 -0.003007 0.007700 -0.011722 -0.062793 -0.068409 0.006059 0.006409 0.000391 0.016418 0.026790 0.692084 0.021526 -0.006540 0.023897 -0.076995 0.550482 -0.222872 -0.011313 0.016313 0.044105 0.207719 0.140598 -0.523445 0.003180 0.010570 -0.016360 -0.015627 0.006900 0.001024 0.216664 -0.226956 -0.128201 0.011604 0.004407 -0.007146 0.005399 -0.070579 0.025460 -0.015051 -0.076938 0.048381 -0.019146 -0.005712 0.018358 0.058570 0.448447 0.407892 0.009979 -0.010770 -0.010690 -0.249029 0.089101 -0.495973 -0.001229 0.001102 0.009280 0.021639 -0.006507 0.013596 -0.215380 0.181007 -0.123841 -0.007085 0.025613 -0.000643 -0.020198 0.017913 -0.008099 -0.120048 0.068133 1.072504 0.001349 -0.006643 0.018767 -0.130597 -0.568425 0.100441 -0.024959 -0.022034 0.066209 -0.178465 -0.115800 -0.647746 -0.018874 0.009161 -0.000555 0.011411 -0.003443 0.020281 0.156547 0.274797 -0.349632 -0.007386 0.001275 0.012161 0.072556 -0.063463 -0.339934 0.149408 -0.002129 0.097767 0.009336 0.011841 0.063343 0.160641 -0.484217 -0.150198 0.001245 0.008545 0.010754 0.279406 -0.044773 -0.570598 0.023605 0.012470 0.014406 -0.033299 0.022093 0.009412 -0.152735 -0.233080 -0.462979 -0.013057 -0.009982 0.021226 0.016424 -0.014072 0.015280 -0.040204 0.026996 0.416578 0.017648 -0.011513 -0.021234 0.019047 -0.005167 0.009168 -0.002234 0.002968 0.037127 -0.008414 -0.018913 0.010616 -0.004106 -0.075777 0.275500 -0.026379 0.014892 -0.091300 -0.007184 -0.003215 -0.001689 0.011341 -0.015039 0.007360 0.015335 0.007170 -0.004052 -0.012301 -0.024552 0.025292 -0.029782 -0.009130 -0.001662 0.037719 0.008970 -0.003009 -0.006280 -0.004690 0.002099 -0.009385 0.041948 0.013828 -0.015281 -0.004687 -0.029581 0.019082 0.060964 0.533104 -0.013018 -0.014257 0.021812 0.198632 0.002649 0.412621 -0.004665 -0.003988 0.014336 -0.040402 0.014924 0.452136 0.018665 0.007373 -0.011144 -0.060541 0.116473 0.102309 -0.004631 -0.101444 -0.610448 0.002603 0.011071 0.026832 0.011603 0.004348 -0.015633 -0.003984 0.052274 -0.107517 0.002844 -0.002522 0.009678 -0.007150 -0.119103 -0.036657 -0.004547 -0.008251 0.028336 -0.001934 -0.010367 -0.001191 -0.150300 0.034789 -0.043845 0.007696 -0.004920 0.014098 -0.027287 0.138041 -0.102140 -0.020786 -0.126907 0.058839 0.008352 0.005874 0.001321 -0.008799 -0.000727 0.002921 0.005535 0.098602 -0.119440 -0.016762 -0.009122 0.011070 -0.011552 -0.063083 -0.068912 0.006123 0.005890 0.003630 0.016062 0.027321 0.693269 0.022339 -0.005792 0.023875 -0.077362 0.551347 -0.222556 -0.010184 0.016831 0.043232 0.208038 0.141906 -0.523492 0.004747 0.010077 -0.014881 -0.015375 0.007527 -0.001947 0.216675 -0.227140 -0.128820 0.012176 0.005054 -0.010714 0.005662 -0.055297 0.022451 -0.014565 -0.075770 0.048078 -0.017671 -0.003885 0.017039 0.058748 0.447901 0.408619 0.009504 -0.010401 -0.009960 -0.249299 0.088838 -0.497212 -0.002589 0.003219 0.008441 0.022554 -0.007576 0.014458 -0.215446 0.180933 -0.124222 -0.005250 0.024155 -0.004762 -0.020524 0.015946 -0.008425 -0.120726 0.067643 1.071866 0.000882 -0.007025 0.018221 -0.131087 -0.569753 0.101104 -0.021472 -0.022497 0.070190 -0.178357 -0.117250 -0.647347 -0.017539 0.008257 0.003097 0.011957 -0.002412 0.019827 0.159540 0.274966 -0.352273 -0.009293 0.002489 0.013449 0.068307 -0.056632 -0.303003 0.150213 -0.003187 0.097405 0.012529 0.010398 0.067585 0.161525 -0.483743 -0.149314 -0.002718 0.008862 0.013749 0.279309 -0.044727 -0.571194 0.022994 0.012296 0.013542 -0.032773 0.023238 0.009447 -0.155259 -0.233175 -0.462628 -0.009061 -0.009039 0.017874 0.018472 -0.012742 0.014773 -0.019288 0.004885 0.294112 0.014836 -0.010305 -0.019152 0.009993 -0.005396 0.012398 -0.006588 0.008745 0.042898 -0.008849 -0.005481 0.003549 -0.004066 -0.075872 0.274859 -0.023469 0.015742 -0.090655 -0.006737 -0.004243 0.002734 0.021873 -0.003300 0.006975 0.022575 0.001636 -0.012777 -0.022043 -0.028684 0.038950 -0.042834 -0.005499 -0.003025 0.043910 -0.003694 0.005209 -0.014446 -0.008995 0.017580 -0.014931 -0.005426 0.021047 -0.012214 0.004097 -0.035508 0.020682 0.060682 0.532870 0.001605 -0.015794 0.027737 0.198937 0.003064 0.413837 -0.008810 -0.011204 0.012008 -0.039913 0.015780 0.451350 0.012545 0.001738 -0.007961 -0.060999 0.114386 0.104240 -0.005228 -0.101982 -0.610667 0.010071 0.006215 0.020143 0.012767 0.004625 -0.006929 -0.002698 0.050462 -0.103007 -0.006086 -0.004358 0.007224 -0.006653 -0.121100 -0.033888 -0.005522 -0.009338 0.031213 0.005139 -0.013682 -0.005753 -0.150215 0.034485 -0.043580 -0.011665 -0.003909 0.020181 -0.025948 0.140252 -0.099560 -0.021124 -0.123490 0.059343 0.005981 0.009598 -0.006378 -0.008329 0.007508 0.010773 0.005593 0.099056 -0.118628 -0.018711 -0.027796 0.021848 -0.011706 -0.063585 -0.068880 0.005282 0.005485 0.009537 0.016010 0.028645 0.696202 0.017529 -0.004169 0.020218 -0.074504 0.549660 -0.222242 -0.000497 0.015337 0.037231 0.208413 0.140424 -0.522816 0.007153 0.006894 -0.010977 -0.021473 0.008871 -0.013635 0.217324 -0.227385 -0.128567 0.011035 0.005694 -0.018935 0.008838 0.007481 0.003933 -0.014295 -0.074615 0.047949 -0.012050 -0.001778 0.013452 0.055969 0.449554 0.411634 0.008563 -0.008877 -0.007432 -0.249333 0.089818 -0.497218 -0.006571 0.006196 0.003199 0.023791 -0.012725 0.004324 -0.215805 0.180303 -0.124803 -0.002056 0.019104 -0.010362 -0.018177 0.010342 -0.014669 -0.118717 0.067082 1.069699 -0.000474 -0.007512 0.013135 -0.128899 -0.568826 0.104056 -0.012835 -0.023011 0.078221 -0.177706 -0.116044 -0.649059 -0.014771 0.007056 0.011129 0.013020 -0.003078 0.010075 0.156892 0.275249 -0.349774 -0.010274 0.003339 0.007066 0.051345 -0.026163 -0.181435 0.148648 -0.003576 0.098036 0.017402 0.009291 0.074793 0.158355 -0.485488 -0.147516 -0.006977 0.008457 0.018314 0.278892 -0.045597 -0.571614 0.021781 0.009511 0.011645 -0.032687 0.025900 0.002106 -0.152749 -0.232638 -0.467345 -0.001340 -0.009244 0.017928 0.018513 -0.008791 0.007788 0.019401 -0.034844 0.058122 0.009343 -0.008594 -0.014156 -0.006472 -0.004825 0.013498 -0.011087 0.013300 0.053014 -0.016569 0.023822 -0.009959 -0.004017 -0.076192 0.273949 -0.018283 0.017628 -0.088690 -0.006403 -0.004548 0.011939 0.045026 0.021103 0.008048 0.037091 -0.004847 -0.035247 -0.039106 -0.039026 0.067482 -0.069179 0.002233 -0.005025 0.055596 -0.027271 0.022463 -0.031516 -0.019064 0.048109 -0.026644 -0.094250 0.037171 -0.009294 0.022796 -0.051389 0.021285 0.059761 0.532873 0.033380 -0.018371 0.038498 0.197565 0.003679 0.414798 -0.016338 -0.021988 0.008120 -0.039995 0.015377 0.451578 0.000325 -0.010154 0.000896 -0.061795 0.111233 0.106573 -0.006346 -0.101815 -0.611633 0.024975 -0.003281 0.005961 0.015478 0.006136 0.012269 -0.001131 0.047550 -0.095105 -0.023907 -0.008383 0.003072 -0.006598 -0.125035 -0.027716 -0.006930 -0.011757 0.036125 0.018713 -0.020437 -0.015279 -0.149258 0.034603 -0.042779 -0.048909 -0.001733 0.031452 -0.023932 0.144277 -0.094108 -0.021010 -0.118408 0.060643 0.001046 0.016226 -0.018662 -0.009094 0.020813 0.027664 0.005535 0.098441 -0.116466 -0.021494 -0.066959 0.043415 -0.011778 -0.064790 -0.069369 0.004830 0.003698 0.023625 0.013995 0.031012 0.699888 0.003514 0.002861 0.014856 -0.067949 0.548354 -0.226695 0.021429 0.009170 0.028029 0.208403 0.138291 -0.520881 0.003784 0.006943 -0.000323 -0.027901 0.012942 -0.032986 0.217918 -0.227971 -0.128081 0.009853 0.009125 -0.035249 0.012925 0.125657 -0.026625 -0.011939 -0.073639 0.048120 0.002754 0.005887 0.008135 0.048952 0.448041 0.422858 0.008622 -0.006472 -0.005147 -0.248901 0.091235 -0.495955 -0.004323 0.016356 -0.014388 0.024960 -0.023542 -0.013472 -0.216390 0.178960 -0.123944 0.003061 0.010841 -0.026386 -0.013237 0.000776 -0.024296 -0.120364 0.066782 1.055933 -0.005315 -0.008843 0.011213 -0.125506 -0.569573 0.109912 0.006653 -0.024064 0.097859 -0.177002 -0.113980 -0.643585 -0.008004 -0.000964 0.025597 0.013829 -0.000993 -0.013958 0.157562 0.275862 -0.349461 -0.013740 0.005741 -0.001238 0.025189 0.021809 0.032454 0.151071 -0.003365 0.097368 0.030271 0.003041 0.093069 0.154415 -0.484739 -0.143262 -0.023726 0.005342 0.033334 0.278533 -0.047002 -0.571750 0.017657 0.001659 0.005466 -0.029491 0.030716 -0.011058 -0.152871 -0.231780 -0.468617 0.012943 -0.008445 0.007168 0.015862 0.001868 -0.009673 0.004472 -0.020120 0.151337 0.011326 -0.009476 -0.014460 0.000556 -0.005992 0.014790 -0.009537 0.010406 0.049595 -0.012613 0.009738 -0.003998 -0.004141 -0.076269 0.275162 -0.020449 0.016680 -0.087236 -0.006883 -0.005422 0.011014 0.033577 0.012007 0.008883 0.029110 -0.000951 -0.025134 -0.029454 -0.034938 0.055888 -0.059001 -0.001647 -0.003466 0.050811 -0.017786 0.015975 -0.025521 -0.014674 0.038074 -0.021978 -0.061692 0.031067 -0.009528 0.014817 -0.043773 0.020466 0.059893 0.533826 0.020770 -0.017316 0.034288 0.199454 0.002311 0.415990 -0.013366 -0.020134 0.009326 -0.039701 0.015956 0.452455 0.005119 -0.006088 -0.002008 -0.061340 0.112467 0.107911 -0.006149 -0.102666 -0.609576 0.018569 0.000777 0.011861 0.014136 0.005398 0.005474 -0.002376 0.048617 -0.096754 -0.016798 -0.006895 0.005331 -0.006718 -0.123259 -0.028454 -0.006133 -0.011110 0.035997 0.012977 -0.017644 -0.010896 -0.150489 0.034092 -0.041883 -0.034758 -0.001955 0.027989 -0.025134 0.142228 -0.094411 -0.021236 -0.120398 0.060451 0.002495 0.013358 -0.012571 -0.010662 0.014998 0.021868 0.005410 0.099438 -0.116365 -0.020223 -0.053074 0.035632 -0.012084 -0.064036 -0.068288 0.005325 0.004375 0.019996 0.014318 0.027770 0.699367 0.004735 0.001736 0.013637 -0.070437 0.549818 -0.221829 0.018154 0.010254 0.027720 0.208371 0.136979 -0.521581 0.005680 0.003109 0.001953 -0.020657 0.012646 -0.029525 0.217438 -0.228173 -0.128281 0.006889 0.003830 -0.034449 0.008658 0.094305 -0.026338 -0.012557 -0.073881 0.049171 0.000800 0.004356 0.007109 0.051371 0.447570 0.418748 0.005215 -0.005113 -0.000765 -0.249208 0.090688 -0.496880 -0.007368 0.016326 -0.012407 0.017649 -0.019321 -0.009999 -0.216176 0.179233 -0.124159 0.003502 0.010286 -0.024829 -0.013466 0.000039 -0.016548 -0.121257 0.068618 1.065732 -0.005399 -0.006612 0.005563 -0.124966 -0.570136 0.107843 0.007247 -0.023589 0.090831 -0.177838 -0.113364 -0.653247 -0.004762 -0.001095 0.032982 0.011741 0.000995 -0.011383 0.153159 0.275765 -0.350729 -0.018224 0.009238 0.001408 0.037948 0.000843 -0.053127 0.151523 -0.003817 0.098059 0.030986 0.002025 0.085491 0.153643 -0.484142 -0.146294 -0.020217 0.005799 0.031170 0.278730 -0.046639 -0.572077 0.012751 0.000437 0.004441 -0.024538 0.028899 -0.008036 -0.148497 -0.231913 -0.466635 0.010576 -0.001463 0.005431 0.016182 0.003679 -0.008443 -0.000455 -0.014992 0.182370 0.012057 -0.009572 -0.015496 0.002638 -0.005972 0.013768 -0.008341 0.009831 0.048564 -0.010756 0.004157 -0.001502 -0.004123 -0.076182 0.275301 -0.021053 0.016585 -0.088049 -0.006768 -0.005549 0.009570 0.028957 0.006675 0.008277 0.027875 -0.000146 -0.020054 -0.026909 -0.032547 0.050870 -0.055537 -0.002208 -0.002852 0.049339 -0.014486 0.013798 -0.023132 -0.013543 0.033917 -0.020331 -0.050169 0.028946 -0.010573 0.012544 -0.042342 0.020002 0.059956 0.533685 0.016770 -0.017173 0.033207 0.199068 0.002029 0.415454 -0.012560 -0.018052 0.009193 -0.039645 0.015904 0.452422 0.006489 -0.004388 -0.003309 -0.061134 0.112838 0.107324 -0.005728 -0.102565 -0.609769 0.016483 0.002186 0.013604 0.013972 0.005283 0.002706 -0.002280 0.049034 -0.098238 -0.014405 -0.006424 0.006033 -0.006838 -0.122919 -0.029654 -0.006138 -0.010920 0.034826 0.011731 -0.016895 -0.009751 -0.150242 0.034156 -0.042083 -0.029286 -0.002451 0.026266 -0.025411 0.141834 -0.095380 -0.021039 -0.121265 0.060611 0.003039 0.012648 -0.011387 -0.010006 0.013426 0.019336 0.005469 0.099322 -0.116703 -0.019872 -0.047528 0.032651 -0.012119 -0.063743 -0.068451 0.005618 0.004407 0.017345 0.014416 0.027250 0.698232 0.007367 0.000508 0.015725 -0.070353 0.549747 -0.222150 0.014012 0.011352 0.029980 0.208258 0.136576 -0.521716 0.005413 0.005389 -0.001527 -0.021363 0.012557 -0.027343 0.217517 -0.228039 -0.128111 0.008600 0.004652 -0.030451 0.009643 0.078276 -0.024035 -0.012609 -0.074992 0.048839 -0.001905 0.002071 0.008543 0.051374 0.447016 0.417845 0.005467 -0.006011 -0.002564 -0.249089 0.090755 -0.495831 -0.006795 0.013786 -0.010275 0.018098 -0.018183 -0.006757 -0.216223 0.179282 -0.123661 0.001437 0.012554 -0.021398 -0.014570 0.002282 -0.016310 -0.121275 0.069015 1.064194 -0.004489 -0.007114 0.008867 -0.124797 -0.569913 0.107126 0.002173 -0.023312 0.088427 -0.177731 -0.112714 -0.652129 -0.006954 -0.000129 0.028561 0.011314 0.001042 -0.008054 0.152822 0.275682 -0.350821 -0.015558 0.007570 0.003999 0.041309 -0.005012 -0.081828 0.151491 -0.002799 0.098219 0.028557 0.004332 0.082384 0.153575 -0.483409 -0.146265 -0.016846 0.006546 0.028637 0.278740 -0.046596 -0.571657 0.015290 0.002351 0.006117 -0.026294 0.028812 -0.005679 -0.148144 -0.231821 -0.464876 0.006647 -0.003647 0.007793 0.016649 0.001162 -0.005076 0.011096 -0.029091 0.113215 0.012717 -0.009744 -0.016375 0.003364 -0.005065 0.012504 -0.006650 0.008078 0.043966 -0.009560 0.003246 -0.001465 -0.004175 -0.076236 0.275367 -0.021589 0.016412 -0.088088 -0.005474 -0.004585 0.008973 0.026437 0.006573 0.007561 0.025207 -0.000266 -0.018457 -0.024155 -0.029488 0.046495 -0.050879 -0.002045 -0.001582 0.045712 -0.013426 0.011957 -0.021200 -0.011532 0.031424 -0.019244 -0.041606 0.027471 -0.010157 0.009692 -0.037085 0.020855 0.060020 0.533660 0.014509 -0.015663 0.031134 0.198609 0.002549 0.415274 -0.010813 -0.016057 0.009823 -0.039676 0.016070 0.451695 0.006317 -0.003393 -0.003843 -0.061455 0.113136 0.106971 -0.005808 -0.102343 -0.610191 0.014298 0.002049 0.014661 0.012530 0.005099 0.002690 -0.002302 0.049292 -0.099007 -0.012055 -0.005929 0.006522 -0.006625 -0.122663 -0.030249 -0.005939 -0.010605 0.034613 0.010869 -0.015941 -0.008695 -0.150028 0.034101 -0.042556 -0.026950 -0.002448 0.025037 -0.025172 0.141271 -0.095549 -0.021290 -0.121775 0.060449 0.003076 0.011229 -0.009540 -0.009504 0.011458 0.016121 0.005520 0.098950 -0.117041 -0.018125 -0.042613 0.030648 -0.012088 -0.064034 -0.068346 0.005196 0.003772 0.016009 0.015332 0.027379 0.697818 0.008544 -0.000470 0.016308 -0.070865 0.548734 -0.220444 0.011071 0.011640 0.029091 0.208587 0.136712 -0.521720 0.008554 0.006234 -0.002591 -0.021456 0.012987 -0.024105 0.217450 -0.228207 -0.127781 0.009673 0.003974 -0.028294 0.009941 0.062806 -0.018783 -0.013632 -0.075184 0.049276 -0.002733 0.001875 0.009891 0.051991 0.447906 0.415629 0.005769 -0.006005 -0.002209 -0.249488 0.090470 -0.495920 -0.008988 0.011945 -0.008187 0.018041 -0.016631 -0.004498 -0.216124 0.179292 -0.124147 0.000930 0.013143 -0.018679 -0.014710 0.003409 -0.015725 -0.119677 0.068952 1.063332 -0.003404 -0.006652 0.010526 -0.125633 -0.568892 0.106680 -0.000086 -0.022151 0.084159 -0.177548 -0.112729 -0.650751 -0.007665 0.000146 0.024744 0.010994 0.000044 -0.004015 0.153716 0.275737 -0.348935 -0.014286 0.007693 0.001666 0.028183 0.010113 -0.011864 0.149837 -0.002952 0.097938 0.024704 0.005067 0.080577 0.154642 -0.484332 -0.146142 -0.015728 0.005868 0.028584 0.278520 -0.046479 -0.571692 0.015108 0.002174 0.006926 -0.025965 0.028217 -0.003940 -0.149473 -0.232051 -0.467000 0.005422 -0.005639 0.010288 0.015052 -0.000591 -0.002187 0.048285 -0.074180 -0.108482 0.014925 -0.010267 -0.017983 0.005366 -0.002818 0.009997 -0.002967 0.000722 0.034500 -0.006770 -0.000548 0.000438 -0.004192 -0.076141 0.276090 -0.023626 0.016776 -0.087408 -0.003600 -0.002829 0.010765 0.020450 0.006498 0.006883 0.019059 0.000219 -0.012260 -0.016848 -0.024251 0.037279 -0.035666 -0.002507 0.002843 0.034799 -0.011309 0.007137 -0.015458 -0.006514 0.024348 -0.015354 -0.014642 0.024231 -0.007831 0.002120 -0.023545 0.021326 0.060238 0.533852 0.007929 -0.010454 0.025645 0.198115 0.003910 0.414817 -0.005195 -0.010865 0.013008 -0.040446 0.015276 0.452244 0.005798 -0.000592 -0.003136 -0.062293 0.113893 0.105523 -0.005916 -0.101843 -0.611003 0.008108 0.002080 0.018435 0.009666 0.004849 0.003103 -0.002275 0.050071 -0.101187 -0.005808 -0.004651 0.008875 -0.006744 -0.121445 -0.031278 -0.005755 -0.010422 0.034536 0.008253 -0.013504 -0.006174 -0.150035 0.034457 -0.043151 -0.020070 -0.001023 0.020746 -0.024639 0.139297 -0.095324 -0.021020 -0.122748 0.059453 0.003702 0.007626 -0.003070 -0.009174 0.007217 0.009596 0.005449 0.098492 -0.117580 -0.011993 -0.027963 0.023641 -0.011801 -0.064560 -0.068520 0.002996 0.002294 0.011805 0.014945 0.029675 0.697210 0.007448 -0.001665 0.016095 -0.072910 0.547773 -0.225487 0.005434 0.011817 0.033089 0.208034 0.140969 -0.521674 0.006940 0.005662 -0.001417 -0.016397 0.014800 -0.014919 0.217072 -0.227945 -0.128293 0.009231 0.008494 -0.021230 0.007090 0.015075 -0.007278 -0.013440 -0.074567 0.050710 -0.003653 0.000912 0.010793 0.053838 0.448172 0.417538 0.005089 -0.005362 -0.006221 -0.249122 0.089432 -0.496663 -0.004854 0.008903 -0.005616 0.013648 -0.010310 -0.000367 -0.215958 0.179366 -0.124170 0.000993 0.012992 -0.014773 -0.012714 0.004638 -0.012250 -0.119643 0.067120 1.065818 -0.002990 -0.004264 0.009852 -0.127961 -0.567706 0.106038 -0.000758 -0.017842 0.064307 -0.177768 -0.116892 -0.646167 -0.009242 0.001482 0.016378 0.006039 -0.001446 0.003680 0.160276 0.275428 -0.348406 -0.012344 0.002456 -0.000081 -0.017976 0.058266 0.215230 0.149313 -0.004229 0.098467 0.018167 0.002170 0.066824 0.157648 -0.484562 -0.145559 -0.014498 0.004180 0.026865 0.278671 -0.045729 -0.571396 0.014284 0.001767 0.008907 -0.019364 0.022351 -0.000529 -0.156483 -0.232451 -0.467920 0.004892 -0.006034 0.011155 0.010275 -0.002857 0.001769 0.041987 -0.066326 -0.069621 0.015465 -0.010392 -0.019211 0.005223 -0.002165 0.008990 -0.000769 -0.001077 0.030634 -0.004554 -0.001622 0.000481 -0.004272 -0.076214 0.276186 -0.023962 0.017025 -0.087728 -0.002678 -0.002287 0.010963 0.015032 0.004891 0.008565 0.016764 0.000868 -0.011221 -0.012140 -0.018868 0.032145 -0.029114 -0.002141 0.006235 0.029592 -0.010005 0.005443 -0.012941 -0.004370 0.021069 -0.013591 -0.004431 0.023500 -0.006633 -0.000850 -0.019308 0.020624 0.060162 0.533615 0.006359 -0.008860 0.022948 0.198309 0.002730 0.414653 -0.003784 -0.009050 0.013322 -0.039725 0.015723 0.452118 0.005746 0.000447 -0.003241 -0.062227 0.113798 0.106678 -0.005687 -0.102364 -0.610618 0.005633 0.001588 0.019357 0.008335 0.004244 0.002799 -0.002088 0.050382 -0.101946 -0.003474 -0.003866 0.009474 -0.007119 -0.121188 -0.032044 -0.005845 -0.010837 0.034286 0.006938 -0.011982 -0.005325 -0.150078 0.034142 -0.043346 -0.017100 -0.000815 0.019212 -0.024848 0.138463 -0.095131 -0.020476 -0.122951 0.059422 0.003645 0.005984 -0.001518 -0.008147 0.005673 0.006563 0.005572 0.098847 -0.117929 -0.010109 -0.022923 0.021984 -0.012220 -0.064072 -0.069131 0.002385 0.001582 0.010521 0.015278 0.028936 0.695919 0.007169 -0.002882 0.016479 -0.072065 0.548574 -0.225397 0.004440 0.011660 0.032360 0.208091 0.137688 -0.522225 0.009145 0.007161 -0.001762 -0.014889 0.015264 -0.010994 0.217175 -0.228107 -0.128525 0.009267 0.008250 -0.015584 0.006732 -0.001512 -0.004602 -0.013762 -0.075734 0.050810 -0.004497 -0.001404 0.010966 0.052958 0.447954 0.417143 0.003779 -0.005039 -0.007136 -0.249158 0.090046 -0.496531 -0.005891 0.006074 -0.003030 0.011490 -0.008587 0.000113 -0.216140 0.179201 -0.124385 -0.000117 0.012669 -0.011238 -0.012275 0.005330 -0.011852 -0.119626 0.067524 1.063320 -0.002092 -0.003051 0.013284 -0.126762 -0.568426 0.105671 -0.000283 -0.014680 0.056093 -0.177737 -0.113722 -0.649724 -0.009788 0.000394 0.016231 0.004685 -0.002008 0.007447 0.155836 0.275412 -0.350355 -0.008083 0.001052 0.001179 -0.016399 0.054140 0.191851 0.149296 -0.003497 0.098557 0.014236 0.004989 0.058929 0.156400 -0.484171 -0.146575 -0.011938 0.002180 0.025010 0.278657 -0.046392 -0.571883 0.012716 0.001398 0.009263 -0.018031 0.019868 0.000954 -0.151862 -0.232334 -0.467473 0.002095 -0.007291 0.011207 0.007922 -0.003822 0.002642 0.022507 -0.042481 0.050407 0.018259 -0.010551 -0.021719 0.007283 -0.000111 0.007857 0.005824 -0.005284 0.019924 -0.001013 -0.005300 0.002050 -0.004219 -0.076188 0.277122 -0.026122 0.017410 -0.086702 0.000520 -0.000529 0.013151 0.004265 0.003768 0.007519 0.007995 0.002041 -0.004797 -0.003609 -0.007563 0.018580 -0.010299 -0.000499 0.016066 0.016603 -0.006745 0.000608 -0.005293 0.001625 0.012501 -0.008497 0.028384 0.023157 -0.002907 -0.009557 -0.004446 0.020960 0.060405 0.533589 -0.001097 -0.003384 0.015946 0.198507 0.004239 0.413940 0.001746 -0.003100 0.015757 -0.040548 0.014476 0.451627 0.005162 0.003424 -0.002803 -0.062903 0.114941 0.106116 -0.005650 -0.101780 -0.611592 -0.001428 0.000617 0.022612 0.004267 0.003589 0.003282 -0.001955 0.051295 -0.104382 0.004051 -0.001846 0.012694 -0.006787 -0.119820 -0.033268 -0.005336 -0.010979 0.034443 0.004372 -0.008450 -0.001955 -0.150101 0.034748 -0.043843 -0.008910 -0.000005 0.015347 -0.024326 0.135888 -0.094036 -0.020277 -0.124169 0.058277 0.003885 0.001332 0.005076 -0.007257 0.001518 0.000061 0.005754 0.098441 -0.118424 -0.003222 -0.008717 0.018627 -0.011744 -0.064789 -0.069159 0.000334 -0.000973 0.006442 0.015705 0.030164 0.695796 0.003346 -0.003071 0.014910 -0.073486 0.547886 -0.224144 -0.002098 0.008090 0.028651 0.208001 0.142715 -0.521822 0.013682 0.004664 -0.000881 -0.008838 0.015970 -0.000616 0.216940 -0.228207 -0.128543 0.005936 0.008784 -0.002099 0.004858 -0.052057 0.010817 -0.014032 -0.075844 0.053316 -0.005962 -0.002690 0.010267 0.054597 0.447162 0.415989 0.002868 -0.004153 -0.008088 -0.248845 0.088899 -0.496929 -0.007160 -0.000317 0.002709 0.005014 0.000399 0.002918 -0.215859 0.179160 -0.124253 -0.000605 0.011228 -0.004095 -0.008587 0.007108 -0.007155 -0.119905 0.066867 1.065852 -0.000609 0.000257 0.012885 -0.128184 -0.567341 0.105961 -0.000611 -0.001264 0.023973 -0.177954 -0.118802 -0.646386 -0.009285 0.000878 0.009030 -0.001377 -0.003039 0.016620 0.163802 0.275438 -0.349901 -0.003286 -0.002600 0.000766 -0.007329 0.025777 0.072585 0.149266 -0.004323 0.099991 -0.001287 0.004895 0.038434 0.158912 -0.483118 -0.145991 -0.008540 -0.000416 0.021353 0.279004 -0.045532 -0.571481 0.010109 0.000002 0.011188 -0.009497 0.010037 0.003702 -0.159826 -0.232659 -0.467309 0.001821 -0.009233 0.011436 0.000509 -0.007040 0.004895 -0.017125 0.005017 0.296241 0.022165 -0.010535 -0.026451 0.009636 0.003248 0.005898 0.022436 -0.014700 0.001547 0.010014 -0.013096 0.004731 -0.004390 -0.075849 0.279334 -0.028965 0.019232 -0.085188 0.006555 0.003025 0.018637 -0.021259 0.002245 0.015412 -0.009708 0.009054 0.006756 0.013054 0.018386 -0.008428 0.024694 0.001909 0.038779 -0.013783 0.001036 -0.007614 0.009280 0.013395 -0.006037 0.002537 0.093092 0.024283 0.002919 -0.024768 0.024681 0.019928 0.060299 0.533772 -0.014633 0.007969 0.001777 0.200302 0.001727 0.414860 0.011150 0.007941 0.018345 -0.039002 0.016238 0.453018 0.004363 0.010067 0.000129 -0.063678 0.115326 0.110880 -0.005103 -0.103692 -0.609160 -0.016065 -0.001626 0.030005 -0.003302 0.001029 0.003704 -0.001389 0.052460 -0.107991 0.018416 0.001296 0.018486 -0.007671 -0.117328 -0.035753 -0.005003 -0.012501 0.035848 -0.001913 -0.000631 0.003822 -0.151130 0.033854 -0.043844 0.006903 0.000150 0.006717 -0.024108 0.130809 -0.090797 -0.018336 -0.125027 0.057780 0.003435 -0.007960 0.018613 -0.004704 -0.008823 -0.016110 0.006104 0.100297 -0.118947 0.011656 0.020131 0.011119 -0.012605 -0.063519 -0.070335 -0.003057 -0.005168 -0.002744 0.016366 0.029202 0.693536 -0.002288 -0.007713 0.009136 -0.074623 0.548112 -0.231348 -0.016338 -0.000567 0.024357 0.207392 0.136124 -0.522643 0.016669 0.001574 0.000733 0.003235 0.017904 0.021291 0.216053 -0.227729 -0.129526 0.000827 0.014726 0.028987 -0.002745 -0.153439 0.039916 -0.014624 -0.077580 0.056145 -0.009007 -0.006260 0.010329 0.055563 0.446364 0.420346 -0.000579 -0.002567 -0.015686 -0.248238 0.089942 -0.497233 -0.002952 -0.013850 0.014479 -0.006226 0.018558 0.009378 -0.215294 0.178836 -0.124329 -0.002038 0.008810 0.014264 0.001886 0.007314 0.002869 -0.119711 0.067500 1.069099 0.005780 0.006585 0.012347 -0.125694 -0.566264 0.106091 0.002957 0.021942 -0.041959 -0.177855 -0.112561 -0.658706 -0.007764 0.002569 0.008858 -0.012715 -0.004354 0.036003 0.152225 0.274704 -0.353173 0.009299 -0.014652 0.004532 0.016378 -0.028804 -0.173279 0.148489 -0.004502 0.103274 -0.035034 0.005593 -0.017505 0.156780 -0.481154 -0.147645 0.001513 -0.005537 0.010173 0.278889 -0.046607 -0.572352 0.000403 0.000347 0.012790 0.007908 -0.008176 0.013501 -0.148015 -0.232264 -0.466694 -0.003705 -0.012822 0.011840 -0.011784 -0.013307 0.012033 0.009982 -0.026717 0.130300 0.019200 -0.010241 -0.023580 0.007069 0.001615 0.009638 0.010044 -0.007938 0.017213 0.001784 -0.006548 0.003524 -0.004269 -0.075690 0.277843 -0.026721 0.018082 -0.086934 0.002584 0.000842 0.014485 -0.000356 0.003488 0.010631 0.005956 0.004041 -0.000433 0.000651 0.000670 0.013817 0.001948 0.000881 0.024022 0.006249 -0.003869 -0.001145 -0.000592 0.005070 0.005817 -0.004744 0.050956 0.023696 0.000078 -0.014472 0.005101 0.020842 0.060794 0.534047 -0.004474 0.000379 0.012338 0.198510 0.004149 0.414316 0.004813 0.000805 0.017577 -0.040119 0.015235 0.452391 0.004872 0.005946 -0.000382 -0.062849 0.115436 0.107686 -0.005367 -0.101844 -0.610861 -0.006619 0.000685 0.022712 0.001743 0.003391 0.003967 -0.001539 0.051948 -0.105089 0.008260 -0.000288 0.013391 -0.007064 -0.119053 -0.033910 -0.005285 -0.010817 0.035180 0.002183 -0.005399 -0.000069 -0.150165 0.034885 -0.043720 -0.004130 0.000315 0.014122 -0.024354 0.134951 -0.092623 -0.019717 -0.124260 0.058605 0.003503 -0.000856 0.010841 -0.005325 -0.000973 -0.005445 0.005909 0.099077 -0.118268 0.001528 0.002242 0.017264 -0.011905 -0.064157 -0.069203 -0.000293 -0.002282 0.003499 0.016312 0.030787 0.694917 -0.000391 -0.005014 0.011782 -0.073930 0.547521 -0.226812 -0.008665 0.001736 0.022175 0.207780 0.141949 -0.521804 0.013922 0.003518 -0.001120 -0.000502 0.014257 0.014626 0.216353 -0.227606 -0.128557 0.002678 0.009723 0.017142 0.000040 -0.095026 0.025129 -0.014550 -0.076142 0.054042 -0.007609 -0.005804 0.008861 0.055175 0.447589 0.418036 0.000577 -0.002881 -0.009073 -0.248580 0.089270 -0.496873 -0.006009 -0.007726 0.010270 -0.000133 0.010031 0.005918 -0.215332 0.179328 -0.124074 -0.001970 0.008396 0.006975 -0.001296 0.006535 -0.000734 -0.118990 0.066945 1.065668 0.002679 0.004000 0.013343 -0.128155 -0.565760 0.106777 -0.000039 0.011665 -0.012646 -0.177696 -0.117219 -0.647621 -0.006673 0.002301 0.000634 -0.006965 -0.003531 0.027114 0.162123 0.275481 -0.350116 0.005973 -0.008232 0.001899 -0.001606 0.003857 -0.019863 0.148136 -0.004042 0.101523 -0.017264 0.006470 0.002898 0.159469 -0.482391 -0.146728 -0.001304 -0.003024 0.011751 0.278858 -0.045256 -0.571421 0.003968 0.000894 0.011377 -0.000362 -0.002080 0.008415 -0.158228 -0.232187 -0.467480 -0.003461 -0.009715 0.011065 -0.006154 -0.009095 0.010223 0.012719 -0.030245 0.113162 0.018990 -0.010244 -0.023060 0.007321 0.000925 0.009046 0.009108 -0.007778 0.019037 0.001273 -0.006445 0.002942 -0.004320 -0.075783 0.277759 -0.026625 0.018142 -0.086740 0.001934 0.000370 0.014765 0.001022 0.003865 0.010954 0.007237 0.003721 -0.002083 -0.001031 -0.001480 0.015579 -0.000795 0.000481 0.022184 0.008416 -0.004650 -0.000620 -0.001756 0.003939 0.007124 -0.005440 0.046200 0.023379 -0.000717 -0.013237 0.002838 0.020787 0.060555 0.533813 -0.003837 -0.000578 0.012849 0.198393 0.003645 0.414261 0.003913 -0.000113 0.017131 -0.040005 0.015457 0.452348 0.004849 0.005227 -0.001182 -0.062964 0.115102 0.107507 -0.005408 -0.102106 -0.610835 -0.005032 0.000510 0.023233 0.002833 0.003512 0.004059 -0.001593 0.051615 -0.105124 0.007049 -0.000768 0.013578 -0.007171 -0.119138 -0.033818 -0.005421 -0.011102 0.034898 0.002985 -0.006576 -0.001048 -0.150183 0.034530 -0.043664 -0.005302 0.000323 0.014068 -0.024429 0.134919 -0.093006 -0.019592 -0.124172 0.058640 0.003367 -0.000726 0.008863 -0.005786 -0.000411 -0.004477 0.005874 0.099081 -0.118318 0.000877 -0.000476 0.017243 -0.012034 -0.064063 -0.069443 -0.000247 -0.002125 0.004107 0.016198 0.031573 0.694932 0.000998 -0.004343 0.012769 -0.073790 0.547525 -0.227451 -0.006994 0.003921 0.025728 0.207822 0.140992 -0.521855 0.012876 0.004867 -0.001025 -0.003198 0.015331 0.010374 0.216463 -0.227594 -0.128320 0.003718 0.010468 0.010043 0.001566 -0.084402 0.022048 -0.014565 -0.075970 0.053991 -0.007410 -0.004044 0.009907 0.054904 0.447532 0.418459 0.001826 -0.002568 -0.009835 -0.248713 0.089559 -0.496651 -0.005210 -0.004959 0.006627 0.001177 0.007399 0.004951 -0.215506 0.179309 -0.123897 -0.001358 0.008792 0.002580 -0.003668 0.006658 -0.003052 -0.118998 0.065949 1.065392 0.001716 0.002509 0.013523 -0.128492 -0.566186 0.106477 -0.000325 0.007568 -0.002846 -0.177597 -0.116512 -0.647137 -0.007181 0.001233 0.003893 -0.005189 -0.003632 0.024146 0.160412 0.275222 -0.349728 0.002254 -0.006875 0.001179 -0.002789 0.009114 0.001451 0.148179 -0.004259 0.101094 -0.012217 0.005043 0.014339 0.159410 -0.482722 -0.147234 -0.004135 -0.002349 0.014416 0.278706 -0.045746 -0.571333 0.005438 0.000106 0.011251 -0.002997 0.001286 0.006613 -0.156581 -0.232356 -0.467210 -0.001708 -0.008787 0.011135 -0.004303 -0.008554 0.008307 0.016779 -0.034128 0.086150 0.019837 -0.010220 -0.023424 0.006231 0.001308 0.007439 0.009853 -0.004447 0.014041 0.001963 -0.006379 0.003909 -0.004258 -0.075838 0.277847 -0.027226 0.018252 -0.086362 0.002439 -0.000079 0.013614 -0.002824 0.002220 0.009508 0.003144 0.003950 0.001420 0.002638 0.002438 0.008992 0.003394 0.001572 0.022793 0.005691 -0.003159 -0.001602 -0.000213 0.003586 0.006336 -0.004190 0.040603 0.021966 -0.000994 -0.011780 0.004955 0.020308 0.060635 0.533732 -0.004279 -0.000651 0.011051 0.198457 0.003901 0.413633 0.003957 0.000894 0.016411 -0.040203 0.014677 0.452421 0.005295 0.005751 0.000117 -0.062920 0.115456 0.107190 -0.005358 -0.101941 -0.611148 -0.006222 0.000262 0.023561 0.001376 0.002867 0.003330 -0.001599 0.051718 -0.105454 0.007155 -0.000144 0.014018 -0.007238 -0.118852 -0.033808 -0.005249 -0.011369 0.034946 0.001777 -0.004963 -0.000174 -0.150168 0.034902 -0.043861 -0.003646 -0.000383 0.012830 -0.024436 0.134335 -0.092118 -0.019371 -0.124576 0.058162 0.003641 -0.001353 0.009122 -0.003850 -0.001775 -0.004622 0.005921 0.098871 -0.118688 0.002251 -0.001828 0.015871 -0.011863 -0.064345 -0.069737 -0.000741 -0.002212 0.003493 0.015881 0.031606 0.695190 0.000733 -0.003735 0.011928 -0.074272 0.547999 -0.227699 -0.007407 0.002480 0.024646 0.207769 0.142713 -0.521906 0.014063 0.003930 -0.000799 -0.004582 0.014367 0.011012 0.216360 -0.227681 -0.128803 0.003338 0.010637 0.012409 0.001374 -0.078762 0.022579 -0.014098 -0.075821 0.055268 -0.006806 -0.004444 0.010600 0.055376 0.446776 0.418981 0.001112 -0.003859 -0.010696 -0.248551 0.089079 -0.497260 -0.005198 -0.006218 0.008638 0.001889 0.007094 0.005000 -0.215409 0.179285 -0.123962 -0.000809 0.009632 0.004072 -0.004035 0.007161 -0.003023 -0.120019 0.066005 1.066748 0.001570 0.002556 0.013855 -0.128712 -0.566830 0.106575 -0.000162 0.006856 -0.001264 -0.177705 -0.118255 -0.646423 -0.008491 0.001685 0.003571 -0.004487 -0.003927 0.025097 0.163274 0.275277 -0.351328 0.003289 -0.007661 0.002796 -0.007780 0.014456 0.030720 0.149238 -0.004733 0.101636 -0.015366 0.004708 0.014012 0.159960 -0.481937 -0.145898 -0.004509 -0.001762 0.014947 0.278908 -0.045419 -0.571476 0.006231 -0.000347 0.011759 -0.002819 0.001139 0.007441 -0.159158 -0.232465 -0.466400 -0.000662 -0.010494 0.011033 -0.004585 -0.008865 0.008565 0.029924 -0.046671 0.003038 0.021535 -0.009491 -0.024522 0.004219 0.001161 0.005683 0.010235 -0.000510 0.005826 0.005681 -0.006438 0.005846 -0.004375 -0.075789 0.278746 -0.028370 0.019281 -0.085089 0.003611 -0.003182 0.012565 -0.012698 0.000208 0.011393 -0.007212 0.008169 0.005977 0.009386 0.010580 -0.003093 0.016701 0.006060 0.027427 -0.005561 0.000819 -0.003443 0.003899 0.003228 0.004257 -0.000200 0.024019 0.016789 0.000138 -0.006882 0.011797 0.019180 0.060318 0.533696 -0.006968 -0.000903 0.005563 0.199977 0.001720 0.414252 0.002633 0.003774 0.011666 -0.039092 0.015717 0.452746 0.004913 0.006501 0.003781 -0.062829 0.115885 0.110704 -0.005171 -0.103379 -0.609413 -0.008750 -0.000734 0.024655 -0.001088 0.001018 0.003033 -0.001422 0.051467 -0.105901 0.005834 0.000544 0.017081 -0.007782 -0.117960 -0.033856 -0.005069 -0.012833 0.035765 -0.000369 -0.001714 0.001005 -0.150879 0.034355 -0.043428 0.001817 -0.003797 0.008509 -0.024728 0.132253 -0.089015 -0.018502 -0.125121 0.057975 0.003393 -0.003234 0.008821 0.002128 -0.004565 -0.005866 0.006039 0.100169 -0.119029 0.004655 -0.004035 0.013143 -0.012559 -0.063609 -0.070717 -0.001365 -0.002071 0.000469 0.016024 0.029213 0.693387 -0.000835 -0.001889 0.009058 -0.073869 0.548831 -0.229749 -0.009202 -0.003133 0.016591 0.207441 0.136491 -0.522760 0.017259 0.002012 -0.001063 -0.009005 0.008420 0.015133 0.216051 -0.227773 -0.129590 0.002121 0.011442 0.018503 -0.000655 -0.053268 0.029405 -0.014072 -0.076894 0.056907 -0.005973 -0.005158 0.012090 0.054900 0.445611 0.420331 0.001703 -0.004643 -0.012681 -0.248154 0.090157 -0.497722 -0.005031 -0.009515 0.010471 0.004852 0.007284 0.007522 -0.215266 0.178890 -0.124213 -0.000819 0.007322 0.008292 -0.002560 0.007013 0.000440 -0.120874 0.068111 1.066834 0.003668 0.001798 0.017274 -0.125383 -0.567503 0.106217 0.000029 0.009671 -0.006129 -0.177950 -0.112579 -0.657807 -0.010141 0.002896 0.012659 -0.000234 -0.005448 0.030233 0.153187 0.275050 -0.354060 0.006799 -0.010351 0.005285 -0.025738 0.029494 0.119424 0.150086 -0.004551 0.102582 -0.022323 0.004679 0.004064 0.155983 -0.480255 -0.147871 -0.000906 -0.002132 0.013649 0.279003 -0.046438 -0.572672 0.004966 -0.000761 0.010778 -0.003350 -0.000459 0.014466 -0.148639 -0.232009 -0.465460 0.001053 -0.014157 0.011154 -0.005049 -0.009795 0.010194 0.054642 -0.068997 -0.155270 0.025835 -0.008843 -0.026001 0.001960 0.001076 0.000803 0.010088 0.008873 -0.003172 0.009759 -0.004989 0.011541 -0.004412 -0.075859 0.280968 -0.031561 0.020444 -0.082690 0.007519 -0.004502 0.012131 -0.030891 -0.005922 0.015393 -0.022837 0.007937 0.021595 0.021213 0.031432 -0.030355 0.043100 0.015619 0.035115 -0.027096 0.008700 -0.007847 0.011092 0.000672 -0.001025 0.006756 -0.007592 0.004408 0.004717 0.003252 0.028476 0.020667 0.060570 0.534325 -0.011230 -0.002191 -0.004075 0.199977 0.002351 0.414740 0.000524 0.009297 0.008203 -0.038586 0.016499 0.453101 0.004928 0.008766 0.013547 -0.063505 0.117498 0.113477 -0.005744 -0.103727 -0.608808 -0.014943 -0.002185 0.024061 -0.007164 -0.001241 0.004301 -0.000517 0.051429 -0.106754 0.003682 0.002429 0.020713 -0.008216 -0.116001 -0.033000 -0.004826 -0.013475 0.038401 -0.004682 0.004196 0.003529 -0.150907 0.033947 -0.043405 0.010745 -0.009084 0.002930 -0.024261 0.128611 -0.082405 -0.017728 -0.126927 0.057855 0.003316 -0.007610 0.011340 0.013522 -0.010243 -0.007892 0.006165 0.100465 -0.119473 0.010609 -0.012946 0.006848 -0.013059 -0.064019 -0.071212 -0.005191 -0.002208 -0.004129 0.017626 0.030037 0.691836 -0.005713 0.005390 -0.002411 -0.074584 0.546696 -0.234301 -0.010139 -0.020108 -0.005822 0.207021 0.136180 -0.522890 0.018430 -0.001879 -0.001407 -0.015495 -0.006798 0.028702 0.215345 -0.227984 -0.129786 -0.002176 0.011311 0.034191 -0.000835 0.004559 0.046878 -0.015421 -0.077889 0.061076 -0.002167 -0.006501 0.009402 0.056224 0.445204 0.425684 -0.001667 -0.002252 -0.012762 -0.247660 0.089992 -0.499075 -0.004291 -0.017625 0.018443 0.012107 0.008688 0.012895 -0.214646 0.178180 -0.124465 -0.000614 -0.001988 0.021729 0.002041 0.005681 0.009617 -0.120194 0.068169 1.067545 0.004938 0.001255 0.016747 -0.125225 -0.564928 0.107340 -0.002513 0.018654 -0.025547 -0.177871 -0.112134 -0.659598 -0.008983 0.005017 0.009551 0.006415 -0.006599 0.038481 0.152706 0.275176 -0.351505 0.016959 -0.015896 0.002832 -0.066360 0.052102 0.287401 0.149355 -0.005260 0.105871 -0.038065 0.004821 -0.031189 0.156039 -0.479297 -0.148628 0.010581 -0.004289 0.002579 0.278984 -0.046475 -0.573307 0.001249 -0.001420 0.009725 -0.001790 -0.013821 0.022379 -0.148313 -0.231750 -0.468468 0.002351 -0.017853 0.013147 -0.007109 -0.009864 0.016822 0.048207 -0.063321 -0.110670 0.024641 -0.009036 -0.025231 0.003416 0.001847 0.006411 0.011414 0.005988 0.003547 0.008175 -0.004986 0.010896 -0.004371 -0.075742 0.280770 -0.030593 0.019771 -0.083198 0.004567 -0.003358 0.014458 -0.025200 -0.003837 0.016142 -0.016204 0.007698 0.017777 0.016358 0.026007 -0.019705 0.036289 0.013898 0.033897 -0.020921 0.006234 -0.006696 0.009483 0.001454 0.000611 0.004556 0.000037 0.009048 0.003463 0.000574 0.024642 0.021456 0.060585 0.534831 -0.009920 -0.001753 -0.000394 0.199162 0.002994 0.415380 0.000459 0.008180 0.009149 -0.038786 0.016656 0.452979 0.004862 0.008184 0.011350 -0.063453 0.117133 0.112552 -0.005825 -0.103307 -0.608783 -0.013484 -0.001805 0.022288 -0.005992 -0.000112 0.005193 -0.000581 0.051473 -0.105913 0.004670 0.001619 0.018820 -0.007605 -0.116612 -0.032653 -0.004839 -0.012530 0.038539 -0.003076 0.002643 0.002936 -0.150493 0.034004 -0.043119 0.008162 -0.006954 0.006105 -0.024126 0.129865 -0.083547 -0.018567 -0.126531 0.058533 0.003319 -0.006315 0.012093 0.010269 -0.009123 -0.007482 0.006155 0.100037 -0.118835 0.008201 -0.011141 0.010744 -0.012805 -0.064121 -0.070049 -0.004283 -0.002561 -0.002791 0.018205 0.030875 0.692854 -0.006319 0.005219 -0.003874 -0.074136 0.546761 -0.230649 -0.010721 -0.020135 -0.012115 0.207361 0.136487 -0.522150 0.016276 -0.002475 -0.001324 -0.011351 -0.008926 0.028478 0.215552 -0.228011 -0.129002 -0.003963 0.007206 0.033448 -0.002655 0.005240 0.046292 -0.015985 -0.077927 0.059717 -0.001866 -0.005038 0.006280 0.056142 0.446386 0.423721 -0.000976 -0.000811 -0.006220 -0.247893 0.090011 -0.497628 -0.005615 -0.016296 0.016051 0.010324 0.009414 0.013002 -0.214672 0.178389 -0.124324 -0.000725 -0.003594 0.021662 0.004479 0.004428 0.011097 -0.119209 0.067503 1.066685 0.005003 0.000965 0.012869 -0.126020 -0.564728 0.107953 -0.002732 0.018222 -0.031067 -0.177642 -0.112005 -0.655362 -0.005200 0.004316 0.004477 0.005162 -0.005752 0.035912 0.153832 0.275402 -0.349997 0.016873 -0.013504 0.001685 -0.057217 0.042144 0.238573 0.148538 -0.004609 0.105409 -0.035477 0.003825 -0.037250 0.157086 -0.480562 -0.149247 0.011028 -0.004257 0.000140 0.278907 -0.046281 -0.572500 -0.002826 -0.001517 0.007807 -0.000539 -0.015666 0.021289 -0.149702 -0.231842 -0.469740 -0.000589 -0.013662 0.011361 -0.006896 -0.008930 0.015061 0.044198 -0.058089 -0.089515 0.025278 -0.009165 -0.025406 0.002033 0.002038 0.001998 0.009427 0.007230 -0.002059 0.007800 -0.004636 0.010711 -0.004244 -0.075874 0.280462 -0.031051 0.020019 -0.083176 0.004644 -0.003848 0.012171 -0.027103 -0.005389 0.013286 -0.019011 0.007073 0.019778 0.018994 0.028570 -0.027336 0.038245 0.014285 0.033176 -0.022550 0.007208 -0.007146 0.010332 0.000695 0.000054 0.005212 -0.001940 0.007133 0.003820 0.001553 0.024534 0.021032 0.060629 0.534279 -0.010009 -0.002127 -0.002081 0.199621 0.003674 0.414287 0.000788 0.008534 0.008802 -0.039406 0.015416 0.452881 0.004451 0.008234 0.011876 -0.063374 0.117541 0.111815 -0.005738 -0.102995 -0.609906 -0.013797 -0.001948 0.021494 -0.006646 -0.000796 0.003667 -0.000590 0.051510 -0.106365 0.004150 0.002107 0.018529 -0.007908 -0.116446 -0.032731 -0.004687 -0.013008 0.038150 -0.003987 0.003731 0.003202 -0.150603 0.034487 -0.043541 0.009292 -0.008008 0.004049 -0.024132 0.129464 -0.083383 -0.017957 -0.126856 0.057598 0.003656 -0.006737 0.011578 0.011406 -0.009335 -0.007433 0.006212 0.099750 -0.119406 0.008691 -0.011576 0.008593 -0.012431 -0.064587 -0.070865 -0.004584 -0.002563 -0.002977 0.017239 0.030986 0.693638 -0.005519 0.004016 -0.002056 -0.074328 0.546905 -0.232047 -0.010639 -0.017984 -0.004017 0.207192 0.141043 -0.522172 0.016608 -0.002402 -0.001008 -0.012809 -0.005579 0.026386 0.215689 -0.228011 -0.129336 -0.003072 0.009099 0.032320 -0.002139 -0.001635 0.044918 -0.014896 -0.077686 0.061425 -0.001930 -0.005789 0.009390 0.056164 0.445538 0.425404 -0.000964 -0.002092 -0.009408 -0.247537 0.089270 -0.498249 -0.003817 -0.016112 0.017129 0.010098 0.008726 0.011720 -0.214777 0.178437 -0.123858 -0.000525 -0.001911 0.020534 0.002410 0.005290 0.008517 -0.120715 0.067321 1.069118 0.003895 0.001534 0.015568 -0.126295 -0.565376 0.107948 -0.001964 0.017546 -0.024176 -0.177930 -0.116856 -0.653917 -0.008430 0.005399 0.003776 0.005245 -0.006239 0.036461 0.160527 0.275322 -0.350960 0.015925 -0.014229 0.002149 -0.052660 0.040353 0.223491 0.150039 -0.005088 0.105903 -0.034426 0.004253 -0.029373 0.157799 -0.479768 -0.146971 0.008835 -0.003804 0.003815 0.279324 -0.045772 -0.572440 0.001713 -0.002226 0.009850 -0.001433 -0.012471 0.020746 -0.156038 -0.232146 -0.467931 0.001614 -0.016134 0.011739 -0.006943 -0.009549 0.015197 0.032177 -0.042830 -0.024751 0.026588 -0.009038 -0.025430 -0.000234 0.001660 -0.000580 0.009032 0.009382 -0.007459 0.006827 -0.003468 0.012146 -0.004433 -0.075778 0.280620 -0.032338 0.020439 -0.082765 0.007343 -0.005010 0.008667 -0.029435 -0.008066 0.010097 -0.024489 0.006188 0.024589 0.023889 0.031388 -0.036499 0.043007 0.016087 0.034498 -0.028157 0.010126 -0.008042 0.011804 -0.000711 -0.000864 0.006627 -0.010678 0.003023 0.004060 0.004906 0.025768 0.021612 0.060717 0.534256 -0.010840 -0.002314 -0.005133 0.198998 0.005248 0.413539 0.001170 0.010435 0.009875 -0.040316 0.014535 0.452699 0.004953 0.008821 0.014339 -0.063395 0.118398 0.110694 -0.006068 -0.102492 -0.611202 -0.015091 -0.002302 0.021359 -0.007867 -0.000990 0.003854 -0.000588 0.051417 -0.106659 0.002679 0.002979 0.019353 -0.008455 -0.115892 -0.032118 -0.004590 -0.013119 0.038517 -0.005158 0.004808 0.003548 -0.150376 0.034859 -0.043816 0.011425 -0.009228 0.002554 -0.024116 0.128642 -0.081458 -0.017569 -0.127830 0.057230 0.003794 -0.007415 0.012033 0.014461 -0.010499 -0.007586 0.006146 0.099157 -0.119760 0.009816 -0.013381 0.006372 -0.012273 -0.065250 -0.071287 -0.005497 -0.002284 -0.004305 0.017861 0.032949 0.692532 -0.005882 0.005090 -0.003122 -0.074716 0.545725 -0.234420 -0.010040 -0.020830 -0.003334 0.207190 0.144868 -0.522178 0.019365 -0.001652 -0.001770 -0.014780 -0.007016 0.028928 0.215608 -0.228016 -0.129010 -0.001559 0.010347 0.034117 -0.001823 0.007552 0.046779 -0.015709 -0.077584 0.062653 -0.001215 -0.005771 0.010120 0.056469 0.445827 0.426512 -0.001404 -0.001985 -0.011575 -0.247732 0.088654 -0.498545 -0.004033 -0.017024 0.018099 0.011940 0.008872 0.013004 -0.214898 0.178319 -0.123956 -0.000665 -0.002633 0.022152 0.001928 0.005020 0.009900 -0.120063 0.066112 1.066841 0.005465 0.001246 0.020170 -0.128042 -0.564480 0.107508 -0.001651 0.018232 -0.023141 -0.177822 -0.120532 -0.649041 -0.009478 0.004529 -0.001823 0.006979 -0.006445 0.038066 0.167230 0.275403 -0.349062 0.017924 -0.015816 -0.000872 -0.043016 0.026838 0.168935 0.149213 -0.005555 0.105730 -0.037179 0.003460 -0.029816 0.159775 -0.480035 -0.146557 0.008142 -0.004090 0.004466 0.278930 -0.045286 -0.572300 0.002687 -0.002765 0.009905 -0.002539 -0.012744 0.022269 -0.163277 -0.232394 -0.469427 0.002849 -0.019134 0.013668 -0.007151 -0.008874 0.017682 0.008124 -0.012108 0.118857 0.028626 -0.008148 -0.025467 -0.003442 -0.000979 -0.004879 0.009712 0.013270 -0.008523 0.009060 -0.002709 0.015968 -0.004526 -0.075750 0.282159 -0.033952 0.021737 -0.080536 0.007770 -0.006860 0.007083 -0.036323 -0.012081 0.013951 -0.029634 0.007318 0.030601 0.030881 0.036721 -0.046944 0.053291 0.020317 0.036570 -0.038421 0.016186 -0.008827 0.016153 -0.002418 -0.002154 0.009039 -0.028381 -0.002656 0.004677 0.009765 0.028432 0.020427 0.060800 0.534547 -0.013289 -0.003633 -0.009417 0.199551 0.003307 0.413706 -0.001348 0.014008 0.006197 -0.038985 0.015631 0.453259 0.004823 0.009167 0.017766 -0.063669 0.119402 0.114780 -0.006255 -0.103539 -0.609434 -0.016541 -0.002927 0.020212 -0.010592 -0.002961 0.003465 -0.000121 0.051295 -0.106532 -0.000105 0.004612 0.020841 -0.009077 -0.114883 -0.030761 -0.004711 -0.014532 0.039827 -0.007766 0.008526 0.005018 -0.150882 0.034501 -0.043317 0.015841 -0.013432 -0.002263 -0.024411 0.126919 -0.076801 -0.016615 -0.128582 0.057516 0.003854 -0.008499 0.010938 0.020356 -0.011880 -0.006329 0.006183 0.100298 -0.120071 0.012480 -0.018560 0.003734 -0.013125 -0.064611 -0.072246 -0.008104 -0.001787 -0.005528 0.017986 0.032043 0.691615 -0.007288 0.009200 -0.007755 -0.074758 0.546869 -0.235200 -0.010432 -0.031614 -0.009961 0.206532 0.138747 -0.522598 0.021995 -0.001276 -0.000985 -0.019535 -0.010634 0.033761 0.214974 -0.227973 -0.129523 -0.004061 0.009263 0.040215 -0.002717 0.043690 0.052480 -0.015691 -0.077827 0.065182 0.000683 -0.007254 0.009706 0.056597 0.443811 0.429636 -0.003441 -0.001909 -0.010363 -0.247125 0.089764 -0.499682 -0.003947 -0.019434 0.022057 0.015908 0.007504 0.014041 -0.214573 0.177917 -0.123699 -0.000233 -0.007857 0.026856 0.002834 0.004943 0.012277 -0.122185 0.067354 1.065945 0.006677 0.000434 0.022440 -0.125990 -0.565315 0.108393 -0.005391 0.020580 -0.022718 -0.178093 -0.114288 -0.656837 -0.008451 0.003992 0.002890 0.011753 -0.006605 0.038172 0.157399 0.275406 -0.351684 0.021523 -0.017449 0.004343 -0.022411 -0.008893 0.012627 0.151410 -0.006024 0.108126 -0.041185 0.003490 -0.039969 0.157034 -0.477379 -0.147819 0.014703 -0.004586 0.002146 0.279146 -0.046188 -0.573216 0.001186 -0.003173 0.007857 -0.003592 -0.015186 0.025225 -0.152942 -0.231697 -0.467505 0.003635 -0.019446 0.012090 -0.006886 -0.007521 0.018692 0.001448 -0.003690 0.157710 0.029033 -0.008245 -0.025056 -0.004700 -0.000626 -0.006115 0.008172 0.014685 -0.011036 0.010603 -0.001268 0.016823 -0.004664 -0.075808 0.282312 -0.034248 0.021866 -0.080031 0.007618 -0.007437 0.006653 -0.039023 -0.013689 0.013909 -0.031643 0.007519 0.032877 0.031848 0.039144 -0.050653 0.056608 0.021333 0.036773 -0.041691 0.017851 -0.009194 0.017255 -0.002545 -0.002730 0.009379 -0.033607 -0.004919 0.005596 0.011526 0.029357 0.019437 0.060810 0.534854 -0.013796 -0.003819 -0.010558 0.200067 0.002790 0.413855 -0.001975 0.014477 0.005699 -0.038820 0.015300 0.454094 0.004792 0.009279 0.019195 -0.063170 0.119544 0.116123 -0.005970 -0.103862 -0.608911 -0.017361 -0.002927 0.019361 -0.011062 -0.003455 0.003068 -0.000069 0.051500 -0.105673 -0.000981 0.005001 0.020800 -0.009796 -0.114730 -0.030048 -0.004768 -0.014866 0.040704 -0.008497 0.009949 0.005573 -0.151177 0.034567 -0.042819 0.017371 -0.013450 -0.003068 -0.024845 0.126510 -0.075106 -0.015984 -0.128498 0.057562 0.003812 -0.008643 0.011180 0.022076 -0.012418 -0.006000 0.006258 0.100687 -0.120001 0.014202 -0.020444 0.002389 -0.013258 -0.064321 -0.072423 -0.008313 -0.001680 -0.006714 0.018206 0.031887 0.691914 -0.006923 0.009822 -0.008759 -0.074808 0.547880 -0.235873 -0.011081 -0.034400 -0.013982 0.206814 0.138877 -0.522630 0.021231 -0.004372 -0.000976 -0.018808 -0.013715 0.035682 0.214992 -0.228244 -0.129919 -0.006005 0.008496 0.042374 -0.003454 0.053657 0.054101 -0.015832 -0.078226 0.065810 0.001661 -0.007137 0.009023 0.056702 0.443696 0.431382 -0.003686 -0.001648 -0.008961 -0.247346 0.089832 -0.499816 -0.004857 -0.020642 0.022124 0.015919 0.007279 0.015266 -0.214707 0.177755 -0.123799 -0.000600 -0.010525 0.028059 0.003642 0.004276 0.014519 -0.122211 0.067475 1.069192 0.006492 0.000588 0.020181 -0.125475 -0.566263 0.108690 -0.005548 0.020886 -0.023704 -0.177997 -0.114530 -0.659622 -0.006333 0.007076 0.003820 0.012779 -0.005952 0.038805 0.157311 0.275765 -0.353798 0.022142 -0.017273 0.005921 -0.015707 -0.018448 -0.027045 0.151554 -0.005887 0.108724 -0.041158 0.001749 -0.044481 0.156406 -0.477045 -0.148830 0.015580 -0.005475 0.001194 0.279045 -0.046199 -0.573638 -0.001361 -0.003057 0.008510 -0.003207 -0.016607 0.027403 -0.152492 -0.231518 -0.467197 0.005423 -0.017280 0.010935 -0.006062 -0.006863 0.019585 0.003611 -0.005686 0.140011 0.029078 -0.008101 -0.024947 -0.004991 -0.000824 -0.006619 0.008042 0.014743 -0.009292 0.009615 -0.000523 0.016818 -0.004693 -0.075655 0.281693 -0.034234 0.022343 -0.080413 0.007070 -0.007962 0.004880 -0.038337 -0.014699 0.011311 -0.030796 0.006887 0.032215 0.031140 0.035936 -0.050952 0.055548 0.020429 0.033748 -0.042066 0.018828 -0.010023 0.017660 -0.003091 -0.003143 0.009205 -0.035019 -0.005099 0.005163 0.012114 0.027347 0.020215 0.060567 0.534287 -0.013271 -0.003258 -0.011569 0.199234 0.002974 0.413420 -0.001420 0.015010 0.006100 -0.038769 0.015942 0.453470 0.004604 0.009105 0.018025 -0.063371 0.119913 0.115644 -0.006266 -0.103906 -0.609201 -0.017062 -0.002347 0.017027 -0.011254 -0.003767 0.001732 -0.000200 0.051293 -0.105673 -0.002000 0.004973 0.018824 -0.010152 -0.114819 -0.029739 -0.004376 -0.014912 0.040475 -0.008915 0.009965 0.005091 -0.150904 0.034430 -0.043455 0.018222 -0.012779 -0.004605 -0.024621 0.126657 -0.074525 -0.015449 -0.128772 0.057307 0.003578 -0.008538 0.009844 0.022654 -0.012350 -0.005837 0.006282 0.100590 -0.120719 0.012800 -0.018957 0.001792 -0.013275 -0.064404 -0.073397 -0.008531 -0.001110 -0.007048 0.018786 0.033200 0.691205 -0.006653 0.010882 -0.007071 -0.074344 0.547023 -0.237481 -0.013029 -0.036057 -0.010580 0.206837 0.136859 -0.523316 0.024543 -0.002135 -0.002146 -0.020835 -0.013338 0.037514 0.214822 -0.228067 -0.130478 -0.005334 0.011587 0.042974 -0.004158 0.054141 0.058573 -0.016406 -0.078433 0.065773 0.001821 -0.005989 0.010120 0.056399 0.445175 0.431902 -0.001937 -0.001786 -0.010952 -0.247344 0.090266 -0.499479 -0.004833 -0.020727 0.020429 0.018278 0.006734 0.018427 -0.214455 0.177752 -0.124977 0.000719 -0.009964 0.029324 0.003121 0.004836 0.014887 -0.120716 0.066544 1.067190 0.007015 0.000053 0.024654 -0.126340 -0.565610 0.108177 -0.005550 0.022222 -0.021434 -0.177542 -0.112100 -0.657797 -0.008583 0.008441 0.001445 0.013800 -0.006462 0.042243 0.154961 0.275650 -0.353256 0.023364 -0.019038 0.003608 -0.019776 -0.016848 -0.006958 0.150267 -0.005569 0.108414 -0.044455 -0.000418 -0.043014 0.157153 -0.478370 -0.148992 0.015299 -0.005900 0.003429 0.278699 -0.046399 -0.574374 0.000803 -0.004065 0.010058 -0.004800 -0.016774 0.030160 -0.150375 -0.231503 -0.470616 0.006089 -0.019598 0.014977 -0.004081 -0.007439 0.022634 0.009920 -0.011101 0.085929 0.030018 -0.008364 -0.021168 -0.005141 -0.001760 -0.005898 0.008099 0.016294 -0.008611 0.005276 0.002758 0.020267 -0.004614 -0.075858 0.282525 -0.035205 0.022960 -0.078045 0.003608 -0.008477 0.002596 -0.036362 -0.016563 0.011784 -0.031543 0.003599 0.034762 0.030306 0.030992 -0.049612 0.050194 0.017838 0.027690 -0.041769 0.021858 -0.009911 0.018134 -0.003505 0.000161 0.009349 -0.039181 -0.009431 0.004039 0.011678 0.024984 0.021256 0.061124 0.535283 -0.011087 -0.002002 -0.011996 0.199096 0.004691 0.413199 -0.000018 0.016116 0.008418 -0.039043 0.015241 0.454098 0.005544 0.008895 0.018307 -0.063681 0.121251 0.117445 -0.007193 -0.103469 -0.609445 -0.017136 -0.001011 0.012992 -0.011417 -0.004361 0.001479 0.000157 0.051329 -0.103152 -0.004403 0.005093 0.015230 -0.010795 -0.114753 -0.025516 -0.004399 -0.015292 0.042918 -0.008696 0.010553 0.006088 -0.150903 0.034808 -0.043148 0.018616 -0.012624 -0.006343 -0.024024 0.126981 -0.069501 -0.014697 -0.129487 0.058146 0.003565 -0.008019 0.011305 0.023820 -0.012409 -0.002859 0.006163 0.100291 -0.120462 0.008440 -0.013566 0.001678 -0.013100 -0.065510 -0.073201 -0.009715 -0.000492 -0.006008 0.018911 0.035385 0.693632 -0.005705 0.010618 -0.010150 -0.075886 0.546294 -0.235884 -0.010948 -0.033771 -0.013266 0.206125 0.141087 -0.522497 0.023704 -0.005021 0.000629 -0.017289 -0.020116 0.033646 0.214744 -0.228152 -0.129845 -0.006626 0.008752 0.039811 -0.006409 0.060252 0.052773 -0.016303 -0.075419 0.068925 0.004038 -0.008519 0.005955 0.058808 0.444130 0.436106 -0.004589 -0.002225 -0.006638 -0.246630 0.089472 -0.501579 -0.006784 -0.016511 0.023251 0.016603 0.002531 0.017769 -0.214361 0.177296 -0.124253 0.001543 -0.011416 0.028869 0.003200 0.002755 0.016026 -0.122426 0.065262 1.068083 0.005188 0.000927 0.022308 -0.127346 -0.565227 0.109786 -0.009377 0.016737 -0.016009 -0.177908 -0.116179 -0.655799 -0.007628 0.009161 -0.003436 0.012725 -0.003104 0.034076 0.161403 0.275933 -0.350830 0.021886 -0.017242 0.000413 -0.023990 -0.013141 0.035631 0.152541 -0.008771 0.110370 -0.033145 -0.000171 -0.040607 0.158370 -0.477569 -0.145909 0.015405 -0.004551 0.000002 0.279086 -0.045782 -0.573899 0.004143 -0.002610 0.006389 -0.002798 -0.014152 0.028492 -0.156951 -0.231259 -0.471313 0.004570 -0.019961 0.014843 -0.000552 -0.002271 0.021151 0.021543 -0.020291 -0.021301 0.030543 -0.008060 -0.013790 -0.006450 -0.002728 -0.007607 0.004757 0.018548 -0.007532 0.000095 0.005596 0.022801 -0.004525 -0.075928 0.283660 -0.035118 0.025264 -0.073922 -0.002211 -0.009685 -0.004872 -0.035559 -0.019604 0.011193 -0.028718 0.000967 0.039410 0.026184 0.024602 -0.050395 0.042330 0.011625 0.013388 -0.043261 0.027741 -0.010445 0.020576 -0.005212 0.003257 0.011727 -0.047588 -0.018331 0.001555 0.012278 0.018596 0.022164 0.060806 0.536417 -0.007467 0.001636 -0.012578 0.200207 0.004072 0.414645 0.002213 0.017335 0.010568 -0.037968 0.016616 0.455680 0.007551 0.008611 0.018721 -0.062864 0.122542 0.124860 -0.007798 -0.104939 -0.606917 -0.016383 0.002306 0.005290 -0.010983 -0.006281 0.000455 0.000485 0.050602 -0.097380 -0.009334 0.004444 0.008444 -0.012984 -0.114839 -0.017396 -0.003719 -0.017038 0.048301 -0.009546 0.012313 0.007060 -0.151309 0.034105 -0.041582 0.020590 -0.011342 -0.008178 -0.023498 0.127391 -0.059440 -0.011827 -0.130006 0.060652 0.001787 -0.007352 0.011099 0.026882 -0.011914 0.002833 0.006445 0.101661 -0.119682 -0.000019 -0.001750 -0.001072 -0.013477 -0.065388 -0.074197 -0.011130 0.001673 -0.003758 0.020421 0.037188 0.695664 -0.002329 0.011684 -0.008870 -0.072701 0.547244 -0.237642 -0.011530 -0.028778 -0.010118 0.205781 0.137693 -0.522619 0.017828 -0.009384 0.002689 -0.014529 -0.035006 0.030881 0.215186 -0.228325 -0.129507 -0.009621 0.000750 0.029944 -0.004949 0.068748 0.041902 -0.016787 -0.075908 0.073061 0.007411 -0.008248 0.000770 0.057904 0.444123 0.448014 -0.002908 -0.002070 0.000685 -0.245754 0.091346 -0.501238 -0.008989 -0.008203 0.019003 0.014269 -0.005637 0.021032 -0.214273 0.176288 -0.123995 0.002055 -0.017025 0.028366 -0.000439 -0.001750 0.019935 -0.122874 0.064563 1.068895 0.000161 0.001562 0.023536 -0.125286 -0.566455 0.111919 -0.013584 0.008017 -0.005247 -0.177145 -0.112676 -0.662846 -0.004045 0.011995 -0.000845 0.008475 0.000597 0.020966 0.155098 0.276425 -0.349680 0.016684 -0.012793 -0.003250 -0.033167 -0.007603 0.125406 0.155156 -0.008637 0.113432 -0.016326 -0.007738 -0.027998 0.155794 -0.477851 -0.145236 0.013805 -0.001804 -0.005109 0.278994 -0.047192 -0.575015 0.007073 -0.002153 -0.001456 0.003599 -0.010683 0.029145 -0.149915 -0.230368 -0.474498 0.003048 -0.012016 0.013068 0.006924 0.007293 0.019901 0.042470 -0.034521 -0.260436 0.032319 -0.008354 -0.000592 -0.010883 -0.006484 -0.005167 -0.003160 0.022980 -0.005296 -0.012306 0.011170 0.031700 -0.004655 -0.076552 0.284797 -0.036614 0.028796 -0.066705 -0.012249 -0.015349 -0.018491 -0.027599 -0.027864 0.011194 -0.025016 -0.005258 0.045490 0.018867 0.011627 -0.050334 0.025270 -0.000809 -0.016487 -0.045648 0.039468 -0.012464 0.024179 -0.008644 0.008324 0.014137 -0.066403 -0.035139 -0.003016 0.012720 0.006238 0.023361 0.060406 0.537781 -0.000306 0.005132 -0.015140 0.200782 0.004914 0.414549 0.006514 0.020291 0.015069 -0.037633 0.016486 0.457678 0.011076 0.007092 0.017778 -0.061983 0.126373 0.135306 -0.009719 -0.106319 -0.605666 -0.015395 0.008819 -0.010182 -0.011336 -0.009806 -0.003018 0.000662 0.049659 -0.087825 -0.020077 0.003020 -0.006932 -0.017417 -0.115343 -0.002669 -0.002597 -0.020378 0.056538 -0.010770 0.014803 0.008393 -0.151821 0.033826 -0.040245 0.026251 -0.005323 -0.016107 -0.022870 0.128049 -0.041255 -0.006541 -0.132368 0.063821 0.000412 -0.004653 0.011975 0.031903 -0.011108 0.013691 0.006604 0.102365 -0.119710 -0.017705 0.019613 -0.006665 -0.013738 -0.066893 -0.077025 -0.015568 0.006024 -0.001161 0.022478 0.041353 0.700062 0.000918 0.008344 -0.008197 -0.069893 0.546579 -0.238887 -0.006776 -0.017981 -0.013261 0.204979 0.137936 -0.523035 0.010956 -0.014532 0.005464 -0.007918 -0.054849 0.027347 0.215665 -0.229231 -0.129655 -0.009533 -0.008692 0.013762 -0.004867 0.080678 0.022629 -0.017615 -0.073743 0.081308 0.015092 -0.006711 -0.007410 0.058364 0.442396 0.466508 0.000465 -0.004478 0.016779 -0.244384 0.092270 -0.503501 -0.013588 0.006988 0.011645 0.011802 -0.017043 0.027602 -0.214560 0.174423 -0.123960 0.002597 -0.024599 0.027138 -0.006821 -0.013134 0.032345 -0.125231 0.061980 1.069689 -0.004265 0.001192 0.031342 -0.124278 -0.568000 0.115520 -0.022960 -0.015621 0.016003 -0.176745 -0.112957 -0.667882 -0.001861 0.013518 -0.011742 0.000986 0.012578 -0.001388 0.156933 0.277382 -0.348475 0.007320 -0.006488 -0.009453 -0.054516 0.008967 0.352249 0.160327 -0.011889 0.118900 0.022313 -0.013362 -0.010483 0.154442 -0.476730 -0.141488 0.011663 0.006312 -0.010480 0.278958 -0.048157 -0.576908 0.016658 0.000272 -0.013007 0.008727 -0.004468 0.036778 -0.150687 -0.229461 -0.479277 0.002342 0.002178 0.010159 0.024334 0.025574 0.019647 0.034065 -0.025078 -0.210911 0.032432 -0.008407 -0.000761 -0.011860 -0.006710 -0.008656 -0.002255 0.022791 -0.006124 -0.013816 0.011785 0.029424 -0.004625 -0.076558 0.283432 -0.036593 0.029416 -0.067366 -0.012007 -0.015483 -0.021997 -0.025276 -0.028431 0.009059 -0.024150 -0.006187 0.044065 0.017536 0.008061 -0.051136 0.022274 -0.002624 -0.019979 -0.045107 0.039685 -0.013109 0.024188 -0.008772 0.007532 0.014108 -0.064022 -0.035505 -0.003152 0.011736 0.002812 0.023132 0.060391 0.536482 0.000391 0.006028 -0.016169 0.200821 0.005533 0.412681 0.006586 0.020001 0.014278 -0.037998 0.015616 0.456514 0.011011 0.006559 0.014427 -0.061790 0.126967 0.134080 -0.009720 -0.106124 -0.607246 -0.014576 0.008823 -0.013480 -0.011244 -0.010257 -0.005725 0.000682 0.049766 -0.088246 -0.020107 0.002881 -0.010187 -0.018140 -0.115610 -0.002556 -0.002271 -0.021113 0.055443 -0.011075 0.015176 0.008257 -0.151749 0.034239 -0.041418 0.026031 -0.005108 -0.016792 -0.022750 0.128344 -0.041179 -0.005473 -0.132584 0.062670 0.000523 -0.004432 0.010260 0.030964 -0.010770 0.013171 0.006756 0.102200 -0.121059 -0.018948 0.022350 -0.007077 -0.013407 -0.067337 -0.078729 -0.015620 0.006460 -0.002417 0.022716 0.041579 0.699729 0.000672 0.008041 -0.006594 -0.069969 0.546275 -0.238450 -0.007791 -0.019629 -0.005227 0.205172 0.139868 -0.524003 0.018473 -0.013931 0.004067 -0.012049 -0.050523 0.030817 0.215855 -0.229332 -0.130725 -0.009116 -0.006715 0.014255 -0.003323 0.076489 0.027592 -0.017564 -0.073375 0.080786 0.014744 -0.007619 -0.003773 0.058544 0.442380 0.464836 0.001106 -0.005614 0.013501 -0.244293 0.091866 -0.504697 -0.016385 0.006693 0.015090 0.013407 -0.017296 0.029179 -0.214583 0.174380 -0.125134 0.003103 -0.022949 0.026894 -0.008142 -0.010526 0.030401 -0.125247 0.061814 1.068717 -0.003864 0.001550 0.037998 -0.124348 -0.568220 0.114735 -0.022260 -0.014736 0.022463 -0.176569 -0.114878 -0.667513 -0.005460 0.015829 -0.011851 0.001899 0.011220 0.003150 0.160422 0.277527 -0.350259 0.008499 -0.007654 -0.009991 -0.046320 0.001888 0.315165 0.160441 -0.012136 0.118235 0.019791 -0.012789 -0.006383 0.154916 -0.476482 -0.140485 0.009427 0.005581 -0.006336 0.278994 -0.047784 -0.578040 0.020406 0.000736 -0.011237 0.005695 -0.003401 0.041366 -0.153884 -0.229453 -0.480313 0.003251 -0.002346 0.012666 0.025844 0.024473 0.022604 0.008695 0.002246 -0.052357 0.031806 -0.008426 0.004766 -0.011579 -0.008039 -0.012269 -0.007543 0.020014 -0.003939 -0.015368 0.010776 0.029200 -0.004846 -0.076754 0.284249 -0.036184 0.031078 -0.063958 -0.016075 -0.012941 -0.023243 -0.020358 -0.028313 0.009015 -0.021286 -0.006528 0.044789 0.013474 0.002166 -0.048107 0.013373 -0.008774 -0.026015 -0.043942 0.039645 -0.011596 0.024039 -0.008775 0.007832 0.013823 -0.057739 -0.034815 -0.004954 0.009074 -0.002838 0.024519 0.060122 0.537355 0.001923 0.009507 -0.014691 0.201326 0.005210 0.414070 0.007812 0.020874 0.017216 -0.037348 0.017076 0.457431 0.011257 0.006091 0.012410 -0.061811 0.127445 0.139826 -0.010554 -0.107189 -0.605413 -0.014075 0.009810 -0.017445 -0.011130 -0.010954 -0.005912 0.000771 0.048992 -0.084415 -0.021107 0.001731 -0.014231 -0.019866 -0.116248 0.003258 -0.002132 -0.022310 0.059449 -0.011227 0.014922 0.009234 -0.152238 0.033400 -0.040467 0.025431 -0.003523 -0.016308 -0.022182 0.129045 -0.035072 -0.003900 -0.132869 0.065223 -0.000807 -0.004285 0.010220 0.028476 -0.009171 0.016280 0.006642 0.102958 -0.120187 -0.023680 0.030995 -0.004306 -0.013874 -0.067586 -0.079204 -0.015920 0.007344 0.000164 0.023588 0.042315 0.701950 0.002464 0.007041 -0.005122 -0.068411 0.545154 -0.240297 -0.006334 -0.013234 -0.000477 0.204737 0.136064 -0.523920 0.014518 -0.016081 0.008988 -0.007366 -0.054769 0.025690 0.216080 -0.229376 -0.129803 -0.010745 -0.009968 0.008399 -0.003980 0.068711 0.019140 -0.018338 -0.072709 0.083487 0.015384 -0.006347 -0.007503 0.058243 0.442436 0.473538 0.001414 -0.004278 0.018792 -0.244052 0.093201 -0.505055 -0.016108 0.011386 0.011832 0.009907 -0.019868 0.027118 -0.214840 0.173498 -0.124672 0.003839 -0.023148 0.026016 -0.008196 -0.012952 0.030987 -0.124651 0.061419 1.067331 -0.002438 0.000689 0.036188 -0.122971 -0.567732 0.116799 -0.021445 -0.018607 0.026935 -0.176058 -0.111315 -0.672604 -0.002428 0.015280 -0.010647 -0.001441 0.014673 -0.009227 0.153815 0.277481 -0.346085 0.005901 -0.004588 -0.012167 -0.013008 -0.027618 0.134365 0.160924 -0.013149 0.120576 0.032367 -0.015322 0.001230 0.152685 -0.477209 -0.138807 0.007887 0.003588 -0.008396 0.278343 -0.049157 -0.578323 0.019764 0.001381 -0.017326 0.010130 -0.000045 0.038953 -0.147860 -0.228953 -0.483793 0.001876 0.004278 0.012858 0.027420 0.027731 0.017853 -0.038452 0.051003 0.265654 0.031191 -0.008869 0.015129 -0.009678 -0.010283 -0.016887 -0.010795 0.015385 0.005019 -0.016654 0.010279 0.029524 -0.005012 -0.077079 0.284947 -0.036054 0.034114 -0.057711 -0.020789 -0.012639 -0.027260 -0.012411 -0.029210 0.006972 -0.018497 -0.008009 0.041550 0.007802 -0.009538 -0.041876 -0.004403 -0.020225 -0.037850 -0.040885 0.039746 -0.009101 0.023550 -0.009060 0.008758 0.014990 -0.043074 -0.032530 -0.008340 0.004249 -0.014143 0.025192 0.059939 0.538782 0.003852 0.014433 -0.012828 0.201144 0.006040 0.414605 0.008789 0.020738 0.019715 -0.037426 0.016944 0.459554 0.011326 0.005578 0.007556 -0.062115 0.129220 0.147358 -0.012355 -0.107884 -0.603955 -0.012103 0.011607 -0.026995 -0.011378 -0.012237 -0.007688 0.000319 0.048679 -0.077153 -0.022990 -0.000344 -0.024414 -0.023160 -0.117235 0.014211 -0.001423 -0.024514 0.066199 -0.011518 0.015226 0.011195 -0.152705 0.033193 -0.039085 0.024871 -0.001987 -0.015385 -0.021523 0.130555 -0.023836 -0.000247 -0.133440 0.068867 -0.002642 -0.003479 0.009852 0.024367 -0.007450 0.023710 0.006439 0.103363 -0.119275 -0.028591 0.047215 -0.001419 -0.014120 -0.068514 -0.080512 -0.015328 0.009854 0.003390 0.023852 0.046597 0.706993 0.008095 0.003649 -0.003752 -0.066178 0.546641 -0.241605 -0.006632 -0.001748 0.007439 0.203328 0.136917 -0.523730 0.009874 -0.020021 0.015912 0.004306 -0.058189 0.016019 0.216382 -0.229707 -0.129687 -0.012218 -0.017243 -0.000941 -0.001506 0.052491 -0.003406 -0.018319 -0.070857 0.088781 0.019390 -0.003820 -0.012398 0.058124 0.441883 0.488147 0.002958 -0.002273 0.030045 -0.242829 0.094276 -0.505823 -0.018213 0.019377 0.006000 0.001222 -0.024312 0.024789 -0.215412 0.172242 -0.124212 0.006511 -0.027397 0.021355 -0.007119 -0.016814 0.034616 -0.127870 0.058468 1.068118 -0.006222 -0.001410 0.034726 -0.123094 -0.570706 0.120347 -0.019834 -0.029505 0.034732 -0.175991 -0.112059 -0.673691 -0.001413 0.018415 -0.015752 -0.011008 0.020101 -0.025317 0.154975 0.278151 -0.346000 -0.003036 0.001533 -0.010925 0.043229 -0.084931 -0.210363 0.165960 -0.015215 0.124401 0.055582 -0.019332 0.014542 0.152358 -0.477662 -0.135057 0.005354 0.004477 -0.011552 0.278326 -0.050113 -0.579248 0.018529 0.004743 -0.027885 0.016481 0.007282 0.035732 -0.148889 -0.228160 -0.487628 -0.002794 0.015231 0.010259 0.031502 0.036713 0.013375 -0.011153 0.022733 0.078669 0.031654 -0.008854 0.009855 -0.010597 -0.008885 -0.015061 -0.010762 0.018753 -0.000120 -0.016857 0.009409 0.030215 -0.004982 -0.076914 0.284772 -0.036565 0.032133 -0.060847 -0.019509 -0.012698 -0.023216 -0.017542 -0.029101 0.008932 -0.020947 -0.008147 0.045974 0.011561 -0.002774 -0.045049 0.006662 -0.013884 -0.030299 -0.042316 0.039679 -0.010524 0.023519 -0.008420 0.008706 0.014428 -0.051808 -0.033867 -0.006772 0.007105 -0.007886 0.023563 0.060087 0.538447 0.003061 0.011572 -0.014053 0.200598 0.005783 0.413922 0.008302 0.021203 0.019191 -0.038053 0.015901 0.459028 0.011261 0.005442 0.011634 -0.061937 0.128714 0.142767 -0.011431 -0.106840 -0.605553 -0.013353 0.010243 -0.022614 -0.011381 -0.010893 -0.005376 0.000170 0.049321 -0.081551 -0.021991 0.000898 -0.018163 -0.021221 -0.116572 0.008175 -0.001826 -0.023112 0.062313 -0.010931 0.015255 0.009836 -0.152216 0.033811 -0.039583 0.025191 -0.002619 -0.014667 -0.022434 0.129696 -0.029811 -0.002486 -0.133562 0.067042 -0.001633 -0.003742 0.011176 0.026716 -0.008564 0.019777 0.006444 0.102586 -0.119519 -0.024665 0.038654 -0.003785 -0.013926 -0.068066 -0.079439 -0.015953 0.008116 0.002498 0.023043 0.044030 0.704062 0.004166 0.005427 -0.004404 -0.067502 0.546397 -0.239473 -0.006718 -0.006074 -0.001411 0.203911 0.139329 -0.523561 0.009350 -0.018157 0.012420 0.002059 -0.056569 0.022713 0.215970 -0.229865 -0.130031 -0.013145 -0.018264 0.001306 -0.003839 0.062813 0.006991 -0.017812 -0.072274 0.086081 0.019086 -0.004392 -0.011863 0.057808 0.440091 0.479564 0.001912 -0.002649 0.027409 -0.243427 0.092777 -0.505025 -0.016159 0.014979 0.006847 0.004402 -0.020332 0.030355 -0.215206 0.173032 -0.123958 0.004391 -0.026713 0.023039 -0.006297 -0.016158 0.035273 -0.128754 0.060436 1.067026 -0.005495 -0.000742 0.035250 -0.123285 -0.569943 0.118400 -0.020791 -0.026081 0.027063 -0.176648 -0.114269 -0.669738 0.001058 0.015504 -0.017825 -0.008185 0.018182 -0.017658 0.160059 0.278267 -0.348781 0.000994 0.000530 -0.008959 0.015482 -0.053090 -0.008296 0.165428 -0.013533 0.122136 0.047278 -0.017867 0.002348 0.153301 -0.474950 -0.137350 0.007588 0.005518 -0.012687 0.278748 -0.048666 -0.578435 0.017109 0.003345 -0.023163 0.014484 0.002716 0.041459 -0.153347 -0.228558 -0.481723 -0.000943 0.012069 0.005922 0.030235 0.032064 0.016733 -0.008312 0.019757 0.060395 0.031769 -0.008878 0.008784 -0.010414 -0.008872 -0.015145 -0.009754 0.019103 -0.000114 -0.017472 0.009303 0.030758 -0.004968 -0.076931 0.284433 -0.036600 0.031824 -0.061528 -0.019078 -0.012971 -0.023016 -0.017891 -0.029036 0.008634 -0.020332 -0.008006 0.046625 0.012111 -0.001773 -0.045623 0.007425 -0.013401 -0.029763 -0.042277 0.039671 -0.011219 0.023531 -0.008093 0.008551 0.014199 -0.051891 -0.034407 -0.006594 0.006888 -0.007347 0.023859 0.060298 0.538166 0.002930 0.011196 -0.014301 0.200029 0.005751 0.413374 0.008100 0.021217 0.019015 -0.037569 0.016135 0.458448 0.011362 0.005660 0.010972 -0.062096 0.128479 0.141577 -0.011333 -0.106858 -0.605718 -0.013688 0.010194 -0.021626 -0.011389 -0.010796 -0.005433 0.000235 0.049402 -0.082036 -0.021794 0.001071 -0.017885 -0.020961 -0.116467 0.007240 -0.001801 -0.022786 0.061746 -0.010893 0.014922 0.009631 -0.152021 0.033698 -0.040181 0.025242 -0.002750 -0.015771 -0.022300 0.129608 -0.030908 -0.002815 -0.133446 0.066643 -0.001450 -0.003831 0.010631 0.026846 -0.008702 0.018997 0.006445 0.102482 -0.120086 -0.024143 0.037334 -0.004581 -0.014028 -0.068028 -0.079539 -0.015869 0.008233 0.001735 0.023022 0.045838 0.704089 0.004018 0.005893 -0.004768 -0.069093 0.546929 -0.238219 -0.006655 -0.007986 -0.000033 0.203971 0.137852 -0.523620 0.013573 -0.017377 0.012055 -0.000556 -0.055508 0.022168 0.215808 -0.229515 -0.130280 -0.013017 -0.016416 0.004192 -0.004333 0.063682 0.007646 -0.017846 -0.070867 0.085983 0.018224 -0.006113 -0.010487 0.059339 0.441584 0.477784 0.001299 -0.003357 0.025625 -0.243462 0.093138 -0.505983 -0.017775 0.013745 0.010327 0.006528 -0.020342 0.028032 -0.214989 0.173211 -0.124451 0.004839 -0.026221 0.024486 -0.006988 -0.015222 0.033121 -0.127863 0.058645 1.067142 -0.004619 -0.000873 0.037643 -0.125119 -0.570294 0.118284 -0.021529 -0.024220 0.027972 -0.176384 -0.112694 -0.667992 -0.000108 0.015860 -0.017284 -0.006935 0.017779 -0.016407 0.157993 0.277839 -0.349231 0.002202 -0.001021 -0.008724 0.011380 -0.049113 0.011368 0.164497 -0.014943 0.122158 0.043883 -0.016438 0.003148 0.155073 -0.476596 -0.137184 0.008008 0.005227 -0.010178 0.278560 -0.049137 -0.578510 0.018108 0.002943 -0.021356 0.013460 0.002740 0.039542 -0.151612 -0.228767 -0.483744 -0.000836 0.010526 0.009653 0.029686 0.030880 0.015902 -0.007621 0.019135 0.052908 0.031235 -0.008920 0.009196 -0.009941 -0.007864 -0.015425 -0.009312 0.016973 -0.000882 -0.014961 0.008073 0.027391 -0.004989 -0.076862 0.284240 -0.036189 0.032363 -0.061341 -0.017592 -0.010744 -0.021585 -0.015837 -0.026444 0.006543 -0.019790 -0.007101 0.041564 0.010514 -0.002284 -0.043156 0.007197 -0.013182 -0.027819 -0.041712 0.037010 -0.009859 0.022640 -0.007636 0.006904 0.013992 -0.047223 -0.031143 -0.005690 0.006228 -0.007171 0.023723 0.060213 0.537890 0.002190 0.011443 -0.013689 0.200418 0.006313 0.413289 0.007676 0.020269 0.018524 -0.038221 0.015580 0.458687 0.010199 0.005561 0.009946 -0.062063 0.128419 0.141415 -0.011317 -0.106605 -0.606062 -0.012720 0.009150 -0.022095 -0.011069 -0.010344 -0.006073 0.000080 0.049325 -0.082181 -0.019845 0.000585 -0.018111 -0.021395 -0.116689 0.007316 -0.001741 -0.023080 0.061714 -0.010543 0.014540 0.009879 -0.152200 0.034062 -0.040145 0.024351 -0.002364 -0.014905 -0.022304 0.129890 -0.031482 -0.002287 -0.133135 0.066564 -0.001633 -0.004346 0.010000 0.024941 -0.008627 0.018793 0.006479 0.102420 -0.119971 -0.022840 0.036709 -0.003456 -0.013691 -0.068269 -0.079937 -0.015030 0.007923 0.001805 0.023104 0.045332 0.705100 0.003622 0.005615 -0.004344 -0.068209 0.546566 -0.240530 -0.006670 -0.007633 0.002758 0.204022 0.140656 -0.523530 0.011152 -0.018458 0.011850 0.000027 -0.054559 0.022596 0.215970 -0.229501 -0.130018 -0.013017 -0.014362 0.003216 -0.003553 0.059296 0.009037 -0.017922 -0.071570 0.085662 0.017420 -0.004702 -0.010802 0.058397 0.441374 0.479836 0.001504 -0.002987 0.023215 -0.243513 0.092758 -0.505361 -0.015141 0.013587 0.008097 0.004604 -0.020707 0.028783 -0.215177 0.173162 -0.124240 0.004769 -0.024532 0.023191 -0.006315 -0.015152 0.033268 -0.127575 0.059199 1.068262 -0.004310 -0.001583 0.036541 -0.124735 -0.570075 0.118632 -0.020511 -0.023346 0.026980 -0.176300 -0.115560 -0.667151 -0.000904 0.016424 -0.017769 -0.007329 0.016982 -0.015634 0.161771 0.277969 -0.348585 0.001317 -0.002284 -0.009149 0.010530 -0.048160 0.022065 0.164148 -0.014140 0.122009 0.042121 -0.016766 0.002329 0.154834 -0.476397 -0.136058 0.007029 0.004728 -0.009877 0.278409 -0.048663 -0.578292 0.017719 0.002787 -0.021211 0.013943 0.002813 0.040394 -0.155446 -0.228724 -0.483369 -0.000444 0.009943 0.008279 0.027558 0.030204 0.015741 -0.004756 0.016341 0.030803 0.028643 -0.008941 0.010248 -0.007125 -0.006855 -0.016515 -0.007920 0.011909 0.000802 -0.003662 0.006634 0.020771 -0.005073 -0.076729 0.283300 -0.033884 0.033675 -0.060629 -0.012854 -0.005249 -0.015436 -0.010429 -0.019187 0.007580 -0.017342 -0.005077 0.031032 0.006551 -0.002384 -0.036574 0.006259 -0.013818 -0.020909 -0.038384 0.028405 -0.005929 0.020027 -0.004588 0.003414 0.013759 -0.028185 -0.020446 -0.003171 0.001584 -0.005378 0.023949 0.060037 0.537315 -0.000388 0.012468 -0.011789 0.202059 0.004660 0.414512 0.004901 0.017275 0.014878 -0.037158 0.017644 0.458240 0.007762 0.005915 0.005373 -0.062511 0.127312 0.145702 -0.011408 -0.107723 -0.604257 -0.011055 0.006677 -0.020791 -0.011204 -0.009781 -0.007093 -0.000350 0.049096 -0.082084 -0.014065 -0.000750 -0.017711 -0.022026 -0.117545 0.007311 -0.001361 -0.023965 0.062577 -0.008497 0.013356 0.010826 -0.153021 0.033258 -0.040101 0.020675 -0.000780 -0.012273 -0.021938 0.130792 -0.032788 -0.001640 -0.131479 0.067976 -0.003642 -0.006483 0.007119 0.018037 -0.009326 0.017224 0.006448 0.103876 -0.119527 -0.018895 0.034161 0.001562 -0.014143 -0.067468 -0.080603 -0.012005 0.006852 0.001496 0.022950 0.042718 0.706336 0.005197 0.003969 -0.000024 -0.067608 0.546539 -0.240029 -0.005355 -0.005751 0.006245 0.204006 0.134238 -0.524545 0.013028 -0.020526 0.012607 0.003561 -0.045486 0.022070 0.216220 -0.229270 -0.130526 -0.013767 -0.012504 0.003629 -0.003253 0.038048 0.005664 -0.017984 -0.071503 0.084022 0.014156 -0.002819 -0.010927 0.057810 0.441944 0.480210 0.000986 -0.001640 0.020590 -0.243538 0.094213 -0.506003 -0.018693 0.013242 0.009259 -0.003158 -0.016778 0.024687 -0.215448 0.173240 -0.125034 0.005839 -0.024362 0.022897 -0.004263 -0.013889 0.031647 -0.127272 0.060943 1.068110 -0.003675 -0.000275 0.034898 -0.121427 -0.569951 0.119165 -0.017082 -0.019075 0.020350 -0.176388 -0.109529 -0.678618 -0.001801 0.017353 -0.004226 -0.010454 0.013585 -0.016181 0.150296 0.277887 -0.348691 -0.000233 -0.002879 -0.007734 0.007787 -0.044522 0.039992 0.163936 -0.013647 0.121482 0.036035 -0.016536 0.000763 0.150790 -0.476638 -0.136297 0.007204 0.002228 -0.008977 0.278314 -0.049724 -0.579496 0.013686 0.001783 -0.022126 0.015341 -0.001589 0.038097 -0.144124 -0.228292 -0.485265 -0.001515 0.011952 0.008366 0.020735 0.027690 0.014391 0.000638 0.010432 -0.010306 0.025983 -0.009747 0.012949 -0.000361 -0.000533 -0.016710 -0.002153 0.002793 0.004213 0.007030 -0.002114 0.013373 -0.005196 -0.076765 0.282317 -0.031837 0.035286 -0.058461 -0.004033 0.003051 -0.003127 -0.004091 -0.007307 0.004144 -0.011104 -0.004908 0.018224 0.000133 -0.004015 -0.023734 0.004134 -0.013456 -0.007530 -0.029400 0.011554 0.000785 0.014601 -0.002109 -0.003335 0.013187 0.009898 0.001926 -0.000083 -0.006065 -0.002412 0.024558 0.060006 0.537003 -0.005286 0.014248 -0.007826 0.199859 0.007072 0.413366 0.001311 0.014279 0.012355 -0.038690 0.015976 0.458062 0.003581 0.006346 -0.001071 -0.063643 0.126788 0.144268 -0.011779 -0.106086 -0.606223 -0.007209 0.000793 -0.020765 -0.011092 -0.006564 -0.005847 -0.001248 0.049373 -0.083484 -0.004372 -0.004180 -0.016092 -0.022964 -0.118947 0.008298 -0.000522 -0.024168 0.063104 -0.004619 0.009688 0.012528 -0.152097 0.034059 -0.040830 0.014946 0.001464 -0.007083 -0.021173 0.132389 -0.035934 -0.000917 -0.130897 0.070257 -0.005172 -0.010412 0.005144 0.003100 -0.009986 0.015362 0.006388 0.102203 -0.118826 -0.009466 0.030445 0.009534 -0.013314 -0.068798 -0.080939 -0.006357 0.004807 0.001657 0.022050 0.044976 0.709525 0.004014 -0.000967 0.006073 -0.066474 0.545508 -0.240153 -0.004016 -0.001944 0.014083 0.203804 0.138941 -0.524085 0.014581 -0.019645 0.014663 0.012608 -0.024959 0.016422 0.217039 -0.229261 -0.130100 -0.011708 -0.006890 0.004727 -0.001828 -0.001422 0.001402 -0.017459 -0.071564 0.082943 0.008514 0.002440 -0.009914 0.057192 0.441477 0.482931 0.000744 0.002102 0.013940 -0.243480 0.093653 -0.504873 -0.017091 0.011117 0.002243 -0.017899 -0.009598 0.015693 -0.216314 0.173050 -0.124577 0.005498 -0.017963 0.015462 0.002562 -0.012609 0.027797 -0.128133 0.059204 1.061429 -0.000397 0.002594 0.032074 -0.124273 -0.570298 0.121673 -0.005069 -0.010855 0.003706 -0.175819 -0.113780 -0.665311 -0.005001 0.014390 -0.007644 -0.014951 0.005378 -0.016621 0.160851 0.278208 -0.347071 -0.002024 -0.005031 -0.003005 0.004706 -0.036192 0.071303 0.164911 -0.013019 0.120868 0.019002 -0.016180 -0.005109 0.155130 -0.477074 -0.132470 0.001739 -0.001663 -0.004159 0.277847 -0.049392 -0.578565 0.006926 0.000590 -0.018073 0.018798 -0.006696 0.027801 -0.155228 -0.228351 -0.486435 -0.008005 0.016117 0.004080 0.005380 0.019713 0.008991 0.010906 -0.000864 -0.089179 0.019755 -0.010750 0.020011 0.012398 0.006340 -0.013247 0.012177 -0.020003 0.013584 0.029966 -0.020685 -0.014714 -0.005149 -0.076714 0.281414 -0.026292 0.039172 -0.052520 0.009765 0.021433 0.024168 0.012339 0.016959 -0.001694 0.006211 0.000475 -0.007024 -0.011575 -0.007644 0.001105 -0.000343 -0.014720 0.021061 -0.014239 -0.021675 0.014437 0.005806 0.006924 -0.015608 0.011543 0.085715 0.046620 0.007855 -0.022737 0.004574 0.025327 0.059745 0.537536 -0.014581 0.017036 0.001293 0.199843 0.007892 0.414999 -0.007075 0.005141 0.005069 -0.039075 0.016056 0.459564 -0.004851 0.005848 -0.012137 -0.065213 0.124590 0.149351 -0.012272 -0.105575 -0.605067 0.000154 -0.009765 -0.017581 -0.010865 -0.001482 -0.002609 -0.002758 0.049340 -0.083138 0.015454 -0.010566 -0.011411 -0.024576 -0.121900 0.011639 0.001147 -0.025635 0.067445 0.003033 0.002484 0.017169 -0.151904 0.034106 -0.039908 0.002912 0.005862 0.003896 -0.019903 0.135454 -0.039721 0.001315 -0.127832 0.076729 -0.009757 -0.017479 -0.000688 -0.023442 -0.009549 0.012504 0.006492 0.102012 -0.115986 0.008061 0.021299 0.027446 -0.012603 -0.069389 -0.080961 0.005486 0.001108 0.004114 0.020277 0.045014 0.716939 0.002783 -0.010583 0.019673 -0.064344 0.545445 -0.241429 0.004797 0.010963 0.029527 0.203346 0.138912 -0.523444 0.005869 -0.019184 0.017051 0.033485 0.025253 0.000870 0.218361 -0.228669 -0.129354 -0.006277 0.006119 0.004426 -0.003782 -0.097295 -0.018851 -0.016006 -0.070608 0.082004 -0.007659 0.013279 -0.006426 0.056048 0.441701 0.491670 -0.002036 0.010540 -0.002127 -0.242673 0.094403 -0.504045 -0.014335 0.007487 -0.007082 -0.052494 0.008957 -0.000959 -0.217335 0.172743 -0.123935 0.004109 -0.002442 0.001322 0.019362 -0.003482 0.016685 -0.129227 0.058584 1.057645 0.009811 0.007243 0.010979 -0.122369 -0.572085 0.127390 0.020275 0.008824 -0.033964 -0.175091 -0.113986 -0.662893 -0.006337 0.009167 0.010572 -0.031023 -0.012943 -0.018216 0.162072 0.278242 -0.345714 -0.008365 -0.009568 0.011595 -0.002988 -0.017959 0.112091 0.166606 -0.012568 0.121694 -0.017147 -0.010903 -0.016093 0.155030 -0.478389 -0.125349 -0.005542 -0.012848 0.003732 0.277381 -0.050093 -0.577583 -0.010947 -0.001602 -0.011777 0.028389 -0.021485 0.003309 -0.156650 -0.227837 -0.489337 -0.018809 0.022670 -0.003915 -0.028040 -0.001048 -0.009216 0.006747 0.003473 -0.052343 0.022788 -0.010602 0.018401 0.008003 0.002896 -0.015399 0.006085 -0.009387 0.012575 0.020967 -0.014042 -0.000126 -0.004973 -0.077125 0.282924 -0.028744 0.037178 -0.053270 0.003263 0.012774 0.013682 0.002483 0.004704 0.004035 0.000240 -0.001317 0.004990 -0.005921 -0.007092 -0.010346 0.001645 -0.015127 0.009724 -0.019860 -0.007203 0.010083 0.009739 0.002779 -0.009245 0.012270 0.052939 0.028208 0.004858 -0.016289 0.002451 0.024375 0.059648 0.538745 -0.010703 0.015434 -0.001918 0.200270 0.005588 0.415755 -0.003993 0.008795 0.006902 -0.037698 0.016803 0.460622 -0.000682 0.005122 -0.005282 -0.064467 0.125372 0.149819 -0.012034 -0.106562 -0.603581 -0.003514 -0.004988 -0.017496 -0.010310 -0.003844 -0.002305 -0.002010 0.049245 -0.082026 0.005937 -0.008406 -0.012060 -0.023449 -0.120958 0.011609 0.000507 -0.025185 0.067203 -0.000159 0.004578 0.015701 -0.151921 0.033366 -0.039088 0.008046 0.003316 -0.000341 -0.020739 0.133838 -0.036583 0.000419 -0.129335 0.075691 -0.006918 -0.014850 0.003968 -0.011588 -0.009400 0.014614 0.006532 0.102398 -0.116394 0.000520 0.026101 0.020656 -0.013357 -0.068642 -0.080075 0.000922 0.003225 0.004545 0.020368 0.043732 0.713153 0.004014 -0.007796 0.016790 -0.065612 0.546089 -0.242060 0.003663 0.008589 0.021652 0.203237 0.133369 -0.523745 0.003189 -0.017988 0.015438 0.026710 0.013831 0.004441 0.217973 -0.229316 -0.130053 -0.007109 0.000654 0.003193 -0.004180 -0.067025 -0.012525 -0.015728 -0.070782 0.082958 -0.002565 0.009113 -0.005373 0.057033 0.439690 0.489685 -0.001537 0.007628 0.002993 -0.242534 0.094577 -0.504783 -0.011779 0.006880 -0.003811 -0.040776 0.005706 0.002709 -0.216872 0.172296 -0.124107 0.004707 -0.006913 0.001913 0.015619 -0.005173 0.019785 -0.130548 0.059365 1.060088 0.006768 0.007545 0.009297 -0.121689 -0.572400 0.125286 0.014964 0.006237 -0.026453 -0.175652 -0.108929 -0.669509 -0.003801 0.009193 0.012250 -0.026000 -0.006952 -0.016576 0.153644 0.278088 -0.348344 -0.007583 -0.005901 0.012384 0.000932 -0.023484 0.079761 0.167825 -0.013406 0.122296 -0.007668 -0.010096 -0.013309 0.153410 -0.476267 -0.129686 -0.001530 -0.009126 -0.000630 0.277998 -0.050726 -0.578374 -0.010016 0.000218 -0.013417 0.027394 -0.017798 0.007991 -0.147247 -0.227605 -0.486362 -0.014103 0.022479 -0.005485 -0.018496 0.003185 -0.004480 -0.008346 0.019431 0.073136 0.020991 -0.010264 0.017992 0.001050 0.004388 -0.006497 0.006410 -0.009394 0.012095 0.015410 -0.009612 -0.008525 -0.004836 -0.076897 0.281073 -0.027216 0.038101 -0.053822 0.005489 0.014408 0.015342 0.008779 0.009900 -0.001540 0.003998 -0.001996 -0.002313 -0.006782 -0.004774 -0.001667 -0.002503 -0.010634 0.013014 -0.012666 -0.012885 0.011702 0.003589 0.001740 -0.008190 0.009307 0.046746 0.030704 0.005793 -0.010732 0.001043 0.025356 0.059802 0.536708 -0.009031 0.011640 -0.000167 0.200562 0.008309 0.414165 -0.004411 0.004048 0.004628 -0.039428 0.015501 0.458585 -0.004402 0.003373 -0.006239 -0.064204 0.125415 0.147542 -0.011929 -0.105320 -0.606205 0.000719 -0.006534 -0.019610 -0.008925 -0.001346 -0.002065 -0.002653 0.048880 -0.081838 0.007205 -0.008196 -0.010923 -0.023661 -0.121217 0.009940 0.001131 -0.025256 0.066189 0.001756 0.003485 0.013122 -0.151829 0.034394 -0.040261 0.003336 0.003208 0.001427 -0.020031 0.134976 -0.039260 0.000635 -0.128513 0.076210 -0.007342 -0.010762 -0.001686 -0.012525 -0.006737 0.014390 0.006689 0.101961 -0.116852 0.002243 0.014881 0.022001 -0.012383 -0.069376 -0.081193 0.003711 0.002062 0.004052 0.021059 0.042864 0.716106 0.002397 -0.005863 0.013568 -0.063755 0.544297 -0.242116 0.002827 0.005010 0.022147 0.203909 0.141916 -0.523957 0.008463 -0.018645 0.014271 0.022779 0.007708 0.006529 0.218393 -0.229230 -0.129662 -0.009208 0.000592 0.001453 -0.002233 -0.044555 -0.011998 -0.016220 -0.073017 0.080523 -0.001411 0.011352 -0.008569 0.055368 0.441042 0.490581 -0.001873 0.008147 0.003040 -0.242702 0.093581 -0.503940 -0.014249 0.008309 -0.007028 -0.039929 -0.001131 0.004354 -0.216979 0.172753 -0.124025 0.005543 -0.008141 0.002340 0.013483 -0.006612 0.020423 -0.128616 0.060678 1.057980 0.006034 0.004733 0.018634 -0.122235 -0.570532 0.125667 0.013810 0.003660 -0.016945 -0.175257 -0.116988 -0.664428 -0.004520 0.009783 0.005787 -0.024577 -0.005607 -0.015786 0.166647 0.278744 -0.345879 -0.006593 -0.007567 0.003592 0.014994 -0.040694 -0.037273 0.166013 -0.010281 0.119865 -0.006097 -0.014006 -0.010717 0.155131 -0.477229 -0.126151 -0.005976 -0.008064 0.003216 0.277813 -0.049158 -0.578052 -0.004736 -0.002394 -0.014077 0.022522 -0.017118 0.008673 -0.160332 -0.227822 -0.487456 -0.011750 0.018745 -0.002523 -0.016992 0.004535 -0.004378 -0.023236 0.034919 0.198866 0.017949 -0.009749 0.019068 -0.002028 0.003752 -0.005022 0.007347 -0.011229 0.014457 0.016100 -0.005705 -0.017108 -0.004937 -0.076712 0.280420 -0.024768 0.039156 -0.052608 0.007344 0.014385 0.018099 0.011793 0.013487 -0.002200 0.007065 -0.000784 -0.009547 -0.008255 -0.002048 0.006311 -0.006048 -0.008532 0.017155 -0.005875 -0.017781 0.014789 -0.001172 0.000683 -0.006295 0.006556 0.040202 0.033142 0.006975 -0.006268 -0.000481 0.025507 0.059598 0.536679 -0.007510 0.008056 0.002095 0.202325 0.004838 0.416587 -0.006733 -0.001554 -0.001668 -0.037194 0.019425 0.458940 -0.007958 0.001210 -0.005228 -0.064684 0.123765 0.153674 -0.012278 -0.107357 -0.602229 0.004436 -0.007876 -0.018271 -0.007394 -0.000486 -0.001583 -0.003430 0.047855 -0.079157 0.007338 -0.008437 -0.008598 -0.023874 -0.121902 0.009591 0.001435 -0.025975 0.068080 0.003212 0.001970 0.011283 -0.153027 0.032694 -0.039810 -0.001087 0.003465 0.004275 -0.019739 0.135796 -0.039613 0.000441 -0.126257 0.079555 -0.007740 -0.007362 -0.006772 -0.012950 -0.004389 0.014968 0.006424 0.104278 -0.116291 0.004754 0.004141 0.024180 -0.013513 -0.067619 -0.081594 0.007028 0.002058 0.005043 0.020338 0.040875 0.717655 0.000218 -0.005325 0.012675 -0.064769 0.545283 -0.245173 0.006992 0.001948 0.023940 0.203257 0.129376 -0.525485 0.005288 -0.018215 0.012327 0.019048 0.011402 0.004345 0.218416 -0.228567 -0.130444 -0.008732 0.002402 0.001467 -0.000535 -0.027590 -0.013218 -0.016108 -0.072183 0.079187 -0.002494 0.012292 -0.008007 0.055994 0.442001 0.494624 -0.003903 0.009750 0.000568 -0.242327 0.096449 -0.505456 -0.010102 0.006356 -0.008305 -0.038836 -0.001504 0.001949 -0.217242 0.172905 -0.124927 0.005894 -0.007227 0.000554 0.011636 -0.006928 0.017808 -0.129339 0.061165 1.058518 0.006565 0.003474 0.011761 -0.119939 -0.571292 0.126547 0.013792 0.005934 -0.011908 -0.175564 -0.104790 -0.680298 -0.002879 0.009291 0.023737 -0.020690 -0.006320 -0.014210 0.144539 0.278320 -0.347208 -0.006860 -0.008415 0.003414 0.034076 -0.057712 -0.170051 0.166253 -0.010462 0.119572 -0.011046 -0.012155 -0.008739 0.151128 -0.477713 -0.126964 -0.005717 -0.008959 0.001541 0.277776 -0.051396 -0.579534 -0.004540 -0.004135 -0.015045 0.019074 -0.018059 0.007589 -0.138475 -0.227217 -0.489597 -0.009557 0.017453 -0.001717 -0.019230 0.001779 -0.006675 -0.021273 0.033086 0.185072 0.018029 -0.009862 0.020083 -0.004283 0.003030 -0.002592 0.006509 -0.010983 0.014236 0.012310 -0.003584 -0.017710 -0.004968 -0.076929 0.280836 -0.025011 0.039033 -0.051381 0.007304 0.013532 0.018610 0.012524 0.013945 -0.003771 0.007986 -0.001407 -0.009164 -0.009053 -0.001345 0.010356 -0.007920 -0.007388 0.017880 -0.002987 -0.018796 0.016022 -0.003497 0.000421 -0.004059 0.005348 0.034290 0.032611 0.007492 -0.004684 0.000481 0.025520 0.059777 0.537277 -0.006054 0.005843 0.003322 0.202263 0.005730 0.416708 -0.006273 -0.003494 -0.002008 -0.037713 0.018423 0.459320 -0.008487 -0.000370 -0.004350 -0.064420 0.123676 0.153181 -0.012188 -0.107104 -0.602720 0.005290 -0.008254 -0.017319 -0.006395 0.000160 0.000458 -0.003303 0.047751 -0.077828 0.006991 -0.008608 -0.006978 -0.023828 -0.122089 0.010202 0.001235 -0.025991 0.068851 0.003199 0.001127 0.010786 -0.152970 0.033034 -0.039215 -0.002699 0.003282 0.004938 -0.019845 0.136012 -0.039823 0.000215 -0.126281 0.080804 -0.007367 -0.005832 -0.007388 -0.013048 -0.003625 0.015700 0.006455 0.103864 -0.115830 0.005266 -0.000060 0.024507 -0.013334 -0.068047 -0.080776 0.007885 0.001627 0.006563 0.020357 0.041513 0.718897 -0.001108 -0.004434 0.009211 -0.064644 0.544874 -0.243345 0.010270 0.000586 0.018595 0.203376 0.133486 -0.524884 0.004948 -0.015007 0.009311 0.017153 0.014087 0.001902 0.218839 -0.228766 -0.129786 -0.006406 0.001480 -0.001127 0.000372 -0.015406 -0.013953 -0.016265 -0.072502 0.079379 -0.002864 0.012280 -0.006783 0.055861 0.441665 0.494294 -0.006045 0.009711 0.001175 -0.242346 0.095674 -0.505109 -0.010545 0.004449 -0.008939 -0.036456 -0.000272 0.000184 -0.217634 0.172846 -0.124422 0.005089 -0.005006 -0.003169 0.010310 -0.006119 0.013245 -0.129143 0.060476 1.058052 0.006450 0.002426 0.008099 -0.120652 -0.571422 0.126998 0.015540 0.007038 -0.008808 -0.175495 -0.109061 -0.677168 -0.000539 0.006517 0.021661 -0.016602 -0.006802 -0.011519 0.150976 0.278429 -0.346156 -0.005053 -0.005657 0.001333 0.035207 -0.057179 -0.165318 0.165842 -0.010001 0.119607 -0.013660 -0.009979 -0.006872 0.152318 -0.477752 -0.125932 -0.007933 -0.007526 0.003161 0.277720 -0.050893 -0.578624 -0.004805 -0.005010 -0.011378 0.015927 -0.017523 0.002777 -0.144966 -0.227381 -0.488990 -0.008835 0.014494 -0.003256 -0.019463 -0.001240 -0.008235 -0.015623 0.028338 0.140661 0.016135 -0.009841 0.020732 -0.008048 0.002768 0.003573 0.005027 -0.009614 0.008226 0.000586 0.005309 -0.023098 -0.004901 -0.077089 0.279869 -0.023594 0.039313 -0.050392 0.010469 0.012727 0.016202 0.016384 0.017298 -0.007287 0.010889 -0.002876 -0.022091 -0.009863 0.003711 0.021162 -0.012508 -0.003575 0.018845 0.006154 -0.021968 0.018814 -0.010182 -0.001305 0.000750 0.001429 0.017118 0.029712 0.007091 0.002712 0.000657 0.027197 0.059659 0.536743 -0.001747 -0.000340 0.004459 0.202162 0.006348 0.417287 -0.006565 -0.008165 -0.005817 -0.038134 0.019259 0.458719 -0.012222 -0.003695 -0.002051 -0.064674 0.123157 0.153526 -0.012629 -0.106868 -0.602938 0.008760 -0.009230 -0.017289 -0.004475 0.002443 0.003127 -0.004132 0.046813 -0.076170 0.005760 -0.008655 -0.003915 -0.023593 -0.122749 0.009388 0.001810 -0.025757 0.069537 0.004652 -0.001096 0.007230 -0.152915 0.032632 -0.039668 -0.008075 0.003277 0.006427 -0.019094 0.136807 -0.041697 -0.000454 -0.125630 0.083701 -0.006528 -0.001126 -0.011560 -0.011562 -0.000532 0.016350 0.006381 0.103692 -0.115577 0.005645 -0.013290 0.023935 -0.013194 -0.068392 -0.080899 0.010906 0.000388 0.007080 0.020542 0.040251 0.721079 -0.004033 -0.003858 0.008241 -0.064327 0.542711 -0.245580 0.012448 -0.002776 0.016165 0.203434 0.133214 -0.525463 0.005961 -0.012374 0.007040 0.013370 0.013713 0.004364 0.219184 -0.228931 -0.129560 -0.007051 -0.000004 -0.003166 0.002304 0.010231 -0.012606 -0.016728 -0.073979 0.077672 -0.002748 0.013595 -0.007382 0.055545 0.442548 0.497861 -0.007035 0.011086 0.000749 -0.242229 0.095643 -0.505250 -0.008095 0.004080 -0.011823 -0.034435 -0.000815 0.000415 -0.217853 0.172741 -0.124666 0.005374 -0.005998 -0.007057 0.008428 -0.005558 0.015414 -0.128095 0.061210 1.053408 0.006559 -0.000110 0.010735 -0.121340 -0.569838 0.127709 0.016272 0.007358 -0.002086 -0.175380 -0.108774 -0.676666 0.000903 0.004523 0.021248 -0.012570 -0.005833 -0.007883 0.151288 0.278708 -0.343035 -0.004157 -0.006975 -0.006649 0.031485 -0.049702 -0.116604 0.164542 -0.008221 0.117502 -0.014091 -0.011099 -0.004331 0.153491 -0.479029 -0.124277 -0.011512 -0.005405 0.006241 0.277596 -0.050876 -0.578685 -0.001081 -0.006387 -0.010720 0.013294 -0.017918 0.002486 -0.145731 -0.227481 -0.491722 -0.007797 0.010994 -0.001181 -0.018456 -0.002642 -0.008202 -0.003157 0.016358 0.055721 0.012352 -0.010066 0.023375 -0.017192 0.000222 0.010632 0.000899 -0.005266 0.008889 -0.017561 0.018051 -0.028459 -0.004954 -0.077823 0.279039 -0.020738 0.039279 -0.046502 0.012550 0.010897 0.020115 0.019120 0.020522 -0.006926 0.018014 -0.007548 -0.029458 -0.012712 0.011375 0.036472 -0.023060 0.003841 0.023078 0.021654 -0.028929 0.026541 -0.023730 -0.004874 0.011914 -0.005374 -0.017785 0.028356 0.008199 0.017177 0.003263 0.025134 0.059726 0.537358 0.006326 -0.013058 0.010349 0.202631 0.005416 0.417774 -0.006927 -0.018355 -0.010414 -0.038263 0.017894 0.460307 -0.019592 -0.011186 0.002650 -0.063996 0.121399 0.155733 -0.012078 -0.106979 -0.601091 0.015312 -0.011661 -0.014958 0.000614 0.006430 0.008471 -0.005827 0.045726 -0.070344 0.001743 -0.009155 0.002960 -0.024037 -0.124227 0.008990 0.002455 -0.026718 0.071477 0.008129 -0.004843 0.002477 -0.153371 0.032898 -0.038082 -0.019112 0.002268 0.011605 -0.019463 0.138345 -0.043969 -0.000664 -0.123594 0.090743 -0.004536 0.010001 -0.018455 -0.008557 0.006449 0.017265 0.006396 0.103597 -0.113913 0.007362 -0.040370 0.024799 -0.013056 -0.068291 -0.079833 0.017726 -0.001808 0.011292 0.019102 0.040236 0.727568 -0.010645 -0.001035 -0.005165 -0.066152 0.544235 -0.245075 0.022803 -0.014148 -0.003185 0.203574 0.133785 -0.525499 0.004483 -0.009172 0.000817 -0.002644 0.014478 0.000272 0.219982 -0.229238 -0.129341 -0.006252 0.000211 -0.007976 0.005481 0.082051 -0.012893 -0.016010 -0.074806 0.076076 -0.001895 0.016855 -0.005138 0.056965 0.441154 0.502686 -0.012392 0.010588 0.002265 -0.241939 0.095243 -0.505841 -0.003454 -0.001199 -0.013616 -0.014484 -0.000992 -0.012369 -0.218723 0.172645 -0.123865 0.006285 -0.004026 -0.018909 -0.000808 -0.003214 -0.002991 -0.130285 0.059102 1.051482 0.004199 -0.005750 -0.002453 -0.124133 -0.573553 0.129805 0.018272 0.008548 0.017260 -0.175170 -0.110073 -0.677487 0.006223 0.000577 0.024998 0.008349 -0.005426 0.003166 0.152909 0.278807 -0.346775 -0.000410 -0.005930 -0.009820 0.022154 -0.031986 -0.056483 0.165441 -0.006709 0.116048 -0.019568 -0.006563 0.003714 0.157531 -0.478525 -0.120503 -0.017981 0.001037 0.007703 0.277573 -0.050904 -0.577661 0.002301 -0.011413 -0.003064 0.001017 -0.016316 -0.011869 -0.146665 -0.227608 -0.488300 0.002822 0.002295 -0.002151 -0.016513 -0.008594 -0.014668 -0.007317 0.019822 0.087520 0.014278 -0.010513 0.023876 -0.013919 0.001463 0.008511 0.003092 -0.006163 0.012218 -0.009683 0.012897 -0.022893 -0.005004 -0.078082 0.280556 -0.022438 0.038774 -0.046242 0.011062 0.011348 0.020954 0.017522 0.018562 -0.006058 0.014813 -0.006230 -0.020791 -0.012780 0.008761 0.028726 -0.019945 0.000947 0.022526 0.016466 -0.027091 0.024343 -0.018723 -0.003860 0.009013 -0.002992 -0.006993 0.030062 0.007318 0.011963 0.003292 0.025251 0.059382 0.538418 0.003200 -0.008970 0.009138 0.201228 0.006000 0.417770 -0.005840 -0.015456 -0.007557 -0.038779 0.016785 0.461080 -0.016318 -0.009370 0.002424 -0.064212 0.122127 0.154822 -0.012216 -0.106557 -0.601703 0.011982 -0.011388 -0.013710 -0.001303 0.004360 0.008781 -0.005416 0.046125 -0.071783 0.004256 -0.009676 0.002309 -0.023809 -0.124111 0.010446 0.002416 -0.026656 0.071524 0.006744 -0.004243 0.005578 -0.152647 0.032920 -0.037691 -0.015186 0.002222 0.010326 -0.019652 0.137359 -0.042713 -0.000723 -0.125342 0.089839 -0.005068 0.005695 -0.014838 -0.009795 0.002540 0.019296 0.006344 0.102300 -0.113472 0.006741 -0.033112 0.025877 -0.012996 -0.069073 -0.079089 0.015118 -0.001260 0.011810 0.019198 0.040877 0.725402 -0.010363 -0.000575 -0.007012 -0.065193 0.543445 -0.244869 0.020698 -0.011551 -0.007448 0.203404 0.135195 -0.524359 -0.000916 -0.001593 -0.002392 -0.005153 0.018940 -0.004797 0.219823 -0.229589 -0.128556 -0.001351 0.000820 -0.009579 0.005123 0.067040 -0.013051 -0.016058 -0.075659 0.078227 -0.002306 0.015733 -0.002442 0.055970 0.440390 0.501642 -0.010998 0.008970 0.000115 -0.242015 0.094518 -0.504334 0.001520 -0.002476 -0.014130 -0.012856 0.000560 -0.012351 -0.218728 0.172237 -0.123061 0.003672 0.000316 -0.019642 -0.001125 -0.001289 -0.005747 -0.130284 0.058706 1.050304 0.002983 -0.005789 -0.007722 -0.125357 -0.573348 0.129781 0.017266 0.008237 0.014346 -0.175240 -0.111760 -0.670135 0.005964 -0.004700 0.017274 0.009973 -0.006460 0.005183 0.157891 0.278518 -0.345276 0.000696 -0.002513 -0.008980 0.022973 -0.032343 -0.090926 0.165595 -0.006974 0.117828 -0.019597 -0.003941 0.004791 0.158897 -0.478594 -0.119874 -0.016887 0.000738 0.007387 0.277525 -0.050986 -0.576764 0.000701 -0.010315 0.000445 -0.001456 -0.012970 -0.015876 -0.151900 -0.228123 -0.487338 0.002696 -0.000880 -0.003958 -0.015857 -0.011016 -0.014600 -0.010662 0.023186 0.114628 0.015273 -0.010500 0.022709 -0.012427 0.001404 0.003972 0.005169 -0.007872 0.013384 -0.002671 0.006518 -0.020178 -0.005023 -0.077745 0.280454 -0.023146 0.038755 -0.047837 0.010071 0.012447 0.020850 0.015371 0.015637 -0.003550 0.010233 -0.005215 -0.015088 -0.011876 0.006208 0.021532 -0.017307 -0.001362 0.021796 0.011019 -0.024367 0.022648 -0.014286 -0.002809 0.005628 -0.000613 0.004673 0.030136 0.007619 0.007474 0.002582 0.024436 0.059646 0.538116 0.001314 -0.005669 0.007462 0.201464 0.006246 0.416990 -0.005519 -0.012618 -0.006050 -0.038927 0.016125 0.461082 -0.014389 -0.006557 0.000545 -0.064083 0.122640 0.153239 -0.012000 -0.106356 -0.602328 0.009828 -0.010577 -0.015242 -0.002277 0.003430 0.005655 -0.005080 0.046847 -0.073464 0.004396 -0.009203 -0.000412 -0.024159 -0.123505 0.010247 0.002154 -0.026609 0.070296 0.006036 -0.002453 0.007510 -0.152751 0.033551 -0.038089 -0.011820 0.002469 0.009403 -0.019938 0.137041 -0.041946 -0.000164 -0.125507 0.086893 -0.005263 0.001807 -0.012831 -0.010271 0.000766 0.018356 0.006399 0.102415 -0.114191 0.005994 -0.023331 0.026769 -0.012781 -0.069004 -0.079584 0.013269 -0.000333 0.010069 0.019222 0.041831 0.724292 -0.007834 -0.000840 -0.002246 -0.066377 0.544996 -0.243698 0.018358 -0.007078 -0.001969 0.203431 0.137152 -0.524230 0.002002 -0.008646 0.001431 0.001363 0.017056 -0.002548 0.219300 -0.229303 -0.129172 -0.003778 0.001624 -0.006260 0.003770 0.045766 -0.014480 -0.015700 -0.073701 0.078779 -0.002470 0.014651 -0.004420 0.057209 0.440234 0.499494 -0.009937 0.008899 0.000901 -0.242149 0.094238 -0.505361 -0.002623 -0.000549 -0.010394 -0.019469 0.001216 -0.008503 -0.218212 0.172608 -0.123331 0.005387 -0.001727 -0.013770 0.002429 -0.002740 0.000899 -0.130924 0.058498 1.054836 0.004007 -0.003393 -0.003497 -0.125168 -0.574048 0.129170 0.016304 0.007890 0.007502 -0.175351 -0.113430 -0.669830 0.005523 -0.000941 0.014906 0.002827 -0.006067 -0.000361 0.159601 0.278452 -0.347734 -0.001861 -0.002983 -0.003521 0.024976 -0.036846 -0.118869 0.166615 -0.008988 0.118553 -0.017183 -0.006513 0.000720 0.158481 -0.477830 -0.121019 -0.014408 -0.001318 0.006861 0.277691 -0.050458 -0.577150 0.000148 -0.008086 -0.004448 0.002688 -0.014546 -0.009786 -0.153368 -0.228119 -0.486461 -0.000681 0.004701 -0.004536 -0.016453 -0.009353 -0.012910 -0.001810 0.013752 0.038240 0.015562 -0.010376 0.022343 -0.009781 0.001481 0.004104 0.004094 -0.008148 0.009930 -0.001083 0.005796 -0.018772 -0.004976 -0.077618 0.280631 -0.023324 0.038762 -0.048159 0.008728 0.010714 0.016883 0.013497 0.013939 -0.002765 0.009274 -0.004387 -0.013862 -0.009363 0.004280 0.019092 -0.015761 -0.002599 0.018914 0.010640 -0.022433 0.021027 -0.012606 -0.001869 0.005054 -0.000472 0.005539 0.026776 0.006749 0.005824 0.003011 0.025935 0.059578 0.538166 0.001024 -0.004225 0.006810 0.201558 0.005843 0.417983 -0.005122 -0.010889 -0.006216 -0.038245 0.018076 0.460554 -0.012667 -0.005689 0.000385 -0.064509 0.122512 0.154283 -0.012417 -0.106805 -0.601703 0.008060 -0.008845 -0.013849 -0.002847 0.002664 0.005273 -0.004724 0.046738 -0.073716 0.004033 -0.007999 -0.000970 -0.023741 -0.123157 0.010195 0.001953 -0.026039 0.070610 0.004793 -0.001908 0.006423 -0.152809 0.032723 -0.038198 -0.010403 0.002344 0.008447 -0.019524 0.136870 -0.041810 -0.000623 -0.125472 0.086848 -0.005613 0.001230 -0.011514 -0.009445 0.000353 0.016690 0.006336 0.103021 -0.114234 0.005234 -0.018725 0.022705 -0.013158 -0.068584 -0.079487 0.011371 0.000177 0.008618 0.019877 0.041354 0.723034 -0.006586 -0.001733 0.000444 -0.065288 0.543937 -0.244749 0.016540 -0.005632 0.002737 0.203481 0.132733 -0.524749 0.002744 -0.008395 0.002973 0.003941 0.015982 0.000293 0.219561 -0.229315 -0.128959 -0.004231 0.001302 -0.005506 0.002499 0.036717 -0.012933 -0.016396 -0.074380 0.078090 -0.002090 0.012784 -0.004588 0.056282 0.441761 0.499286 -0.009112 0.009622 0.001434 -0.242248 0.095235 -0.504789 -0.003728 0.001072 -0.010971 -0.023096 0.000557 -0.005970 -0.218357 0.172598 -0.123724 0.004162 -0.003521 -0.012122 0.003333 -0.003570 0.004622 -0.129327 0.059205 1.052421 0.004777 -0.002276 0.001866 -0.123800 -0.572418 0.128171 0.015495 0.007423 0.006221 -0.175255 -0.108721 -0.673403 0.004509 -0.000692 0.017164 0.000045 -0.005877 -0.000635 0.152637 0.278616 -0.344970 -0.002088 -0.003472 -0.006290 0.016240 -0.028886 -0.038042 0.165195 -0.008108 0.117524 -0.015331 -0.007124 0.000530 0.156464 -0.479085 -0.123249 -0.012250 -0.002355 0.005945 0.277640 -0.051090 -0.577671 -0.000519 -0.007750 -0.006904 0.005150 -0.015039 -0.005843 -0.146729 -0.227844 -0.489274 -0.002218 0.007208 -0.001996 -0.015734 -0.007272 -0.010158 0.009001 0.001999 -0.053992 0.015919 -0.010309 0.022099 -0.006228 0.001068 0.004821 0.002946 -0.007442 0.007365 -0.000619 0.004779 -0.017995 -0.004988 -0.077581 0.280636 -0.023753 0.038611 -0.048065 0.007468 0.009550 0.014745 0.012800 0.012662 -0.003860 0.008342 -0.004050 -0.013852 -0.007768 0.002727 0.017643 -0.014636 -0.003889 0.015671 0.008622 -0.019693 0.019026 -0.010714 -0.000919 0.004724 0.000153 0.006198 0.023696 0.006026 0.003680 0.002962 0.024536 0.059630 0.537980 0.000387 -0.003037 0.006346 0.201873 0.005850 0.417227 -0.003685 -0.009296 -0.005318 -0.038774 0.016908 0.460715 -0.011811 -0.005499 0.000182 -0.064235 0.122893 0.153969 -0.012181 -0.106603 -0.602087 0.007628 -0.008392 -0.013708 -0.003005 0.002330 0.005259 -0.004964 0.047019 -0.074161 0.004000 -0.007541 -0.001514 -0.023777 -0.122953 0.010477 0.001860 -0.026257 0.070294 0.004108 -0.001504 0.006440 -0.153016 0.033280 -0.038134 -0.008825 0.003005 0.007237 -0.020052 0.136711 -0.041880 -0.000567 -0.125806 0.086109 -0.005833 0.001240 -0.010449 -0.008862 -0.000097 0.015534 0.006304 0.102947 -0.114374 0.004654 -0.013995 0.019997 -0.013042 -0.068602 -0.079574 0.010088 0.000177 0.008154 0.019068 0.040499 0.723293 -0.006396 -0.002174 0.000751 -0.065314 0.545110 -0.243388 0.014879 -0.004443 0.004210 0.203163 0.135538 -0.524760 0.003202 -0.009423 0.004275 0.005523 0.014772 0.001447 0.219182 -0.229283 -0.129562 -0.004699 0.000862 -0.003802 0.002929 0.028990 -0.012422 -0.015603 -0.074663 0.078993 -0.001586 0.013026 -0.004402 0.056048 0.439834 0.499083 -0.008440 0.008723 0.002823 -0.241949 0.094623 -0.504983 -0.004653 0.001190 -0.010349 -0.023739 0.000163 -0.004476 -0.218214 0.172648 -0.123353 0.004040 -0.002816 -0.011418 0.003460 -0.003836 0.005632 -0.131683 0.060058 1.053989 0.003967 -0.001722 0.002465 -0.123273 -0.573508 0.128164 0.015737 0.007115 0.005409 -0.175734 -0.111619 -0.673345 0.003254 0.000334 0.016705 -0.002139 -0.005713 -0.000095 0.156616 0.278705 -0.347787 -0.002651 -0.003374 -0.002208 0.004585 -0.017067 0.053741 0.167457 -0.007970 0.118385 -0.013336 -0.007725 0.000869 0.156279 -0.477058 -0.122436 -0.012711 -0.001141 0.006278 0.277925 -0.050463 -0.577592 0.000040 -0.006809 -0.006656 0.007112 -0.014624 -0.004828 -0.150301 -0.227801 -0.485911 -0.002780 0.007842 -0.003221 -0.014644 -0.006594 -0.009863 0.007987 0.002640 -0.047677 0.016516 -0.010473 0.021625 -0.004968 0.001166 0.004198 0.002300 -0.007232 0.006598 0.000038 0.004054 -0.015696 -0.005011 -0.077508 0.280726 -0.024178 0.038320 -0.048582 0.005126 0.008060 0.010664 0.010949 0.010252 -0.002797 0.007058 -0.003667 -0.012463 -0.006067 0.000368 0.015245 -0.013358 -0.004915 0.012942 0.007190 -0.018358 0.017579 -0.009868 -0.000596 0.004456 0.000561 0.007192 0.021176 0.004813 0.002504 0.002161 0.025599 0.059764 0.538098 0.000545 -0.001973 0.005709 0.201264 0.006220 0.417265 -0.003078 -0.007851 -0.004653 -0.038551 0.017605 0.460479 -0.010354 -0.004906 0.000152 -0.064340 0.123124 0.153374 -0.012314 -0.106465 -0.602170 0.005968 -0.006708 -0.012505 -0.002673 0.002006 0.004895 -0.004794 0.047181 -0.074538 0.003260 -0.006015 -0.001959 -0.023714 -0.122624 0.010240 0.001792 -0.025537 0.070047 0.003172 -0.001218 0.005119 -0.152645 0.033036 -0.038446 -0.007439 0.003157 0.006123 -0.019914 0.136579 -0.042155 -0.000789 -0.126132 0.085966 -0.006075 0.000904 -0.007614 -0.007310 -0.000409 0.013604 0.006343 0.102773 -0.114588 0.004060 -0.008650 0.016599 -0.013140 -0.068595 -0.079462 0.008458 0.000312 0.007209 0.020231 0.042080 0.722109 -0.004968 -0.002880 0.001936 -0.065955 0.543974 -0.244640 0.012060 -0.003734 0.007467 0.203463 0.134618 -0.524903 0.003292 -0.008152 0.004559 0.007351 0.012247 0.003673 0.219237 -0.229134 -0.129068 -0.004648 0.000977 -0.003670 0.002162 0.018433 -0.010404 -0.016756 -0.074111 0.078339 -0.001093 0.011154 -0.004334 0.056898 0.441080 0.498646 -0.006925 0.008423 0.003847 -0.242252 0.094885 -0.505120 -0.004855 0.001708 -0.009310 -0.023215 -0.000595 -0.001407 -0.218115 0.172798 -0.123831 0.003602 -0.003084 -0.009228 0.003394 -0.005161 0.007503 -0.129655 0.058801 1.051930 0.003931 -0.000641 0.004880 -0.124723 -0.572167 0.127147 0.014120 0.005886 0.003698 -0.175349 -0.110286 -0.671201 0.002443 0.000911 0.012267 -0.003280 -0.004482 0.000230 0.155480 0.278603 -0.345178 -0.002661 -0.003390 -0.005555 0.003341 -0.016521 0.057719 0.165477 -0.008497 0.117559 -0.010182 -0.007977 0.001052 0.157785 -0.478206 -0.124026 -0.010976 -0.001420 0.004771 0.277605 -0.050617 -0.577605 -0.000508 -0.005612 -0.007364 0.007887 -0.012935 -0.001961 -0.149567 -0.227907 -0.488450 -0.003966 0.007466 -0.002266 -0.012534 -0.003917 -0.006757 0.003931 0.005387 -0.016845 0.017880 -0.010796 0.021017 -0.002272 0.000801 0.003876 0.000950 -0.007941 0.004979 0.003925 0.000721 -0.008613 -0.004959 -0.077534 0.280918 -0.025184 0.037405 -0.048680 0.000046 0.003380 0.003455 0.005934 0.003684 -0.001137 0.002561 -0.003125 -0.005771 -0.003532 -0.002285 0.007571 -0.011313 -0.008595 0.005875 0.002156 -0.009476 0.012348 -0.004449 0.001597 0.004491 0.002268 0.009048 0.011617 0.003016 -0.001747 0.001767 0.024691 0.059901 0.538275 0.000807 0.000682 0.004393 0.202466 0.005498 0.417137 0.000032 -0.004392 -0.002246 -0.038286 0.017382 0.460931 -0.007476 -0.004602 0.000066 -0.063752 0.123299 0.153972 -0.011953 -0.107073 -0.601369 0.001950 -0.003058 -0.010128 -0.002516 0.000326 0.004398 -0.004771 0.047609 -0.074495 0.002124 -0.003407 -0.003102 -0.023663 -0.121967 0.010425 0.001499 -0.025141 0.070065 0.001015 -0.000036 0.003780 -0.153272 0.033072 -0.038249 -0.004066 0.003873 0.002771 -0.020618 0.135936 -0.042387 -0.001024 -0.126406 0.084738 -0.006343 0.000037 -0.003167 -0.002735 -0.000735 0.010007 0.006395 0.103417 -0.115042 0.001620 0.004682 0.009648 -0.013176 -0.068272 -0.079349 0.004547 0.000940 0.005500 0.020071 0.040988 0.722552 -0.003918 -0.005341 0.001076 -0.067206 0.545313 -0.243359 0.010712 -0.002676 0.011778 0.203425 0.134875 -0.525239 0.003646 -0.011386 0.006516 0.010399 0.009128 0.004330 0.219051 -0.229209 -0.129947 -0.006040 -0.000103 -0.001562 -0.000564 0.004935 -0.010466 -0.016463 -0.073850 0.080207 -0.000162 0.008321 -0.004381 0.058208 0.440335 0.498926 -0.006085 0.007139 0.006949 -0.242067 0.094612 -0.505771 -0.006056 0.002276 -0.006360 -0.022994 -0.001144 -0.000445 -0.217873 0.172806 -0.124085 0.003501 -0.002764 -0.006960 0.002544 -0.006153 0.008543 -0.130915 0.059318 1.057289 0.003045 0.000515 0.002512 -0.123832 -0.573341 0.126084 0.012840 0.006885 0.004048 -0.175563 -0.110955 -0.676923 0.000941 0.005083 0.015078 -0.004275 -0.002036 0.000146 0.154116 0.278607 -0.347630 -0.004502 -0.002360 -0.001978 0.005514 -0.020662 0.034557 0.166664 -0.009169 0.118650 -0.006492 -0.009701 0.002752 0.156974 -0.477316 -0.124814 -0.008270 0.000390 0.003626 0.277832 -0.050388 -0.577973 -0.001118 -0.004204 -0.008492 0.010565 -0.010379 0.000362 -0.147755 -0.227800 -0.487007 -0.003914 0.009343 -0.000946 -0.008445 -0.002022 -0.005083</matrix>
               </module>
            </module>
            <module dictRef="cc:userDefinedModule" id="positions">
               <molecule id="calculation.position.2">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.12311"
                           xFract="0.25155332"
                           y3="6.32028"
                           yFract="0.74884834"
                           z3="9.43017"
                           zFract="0.42440009"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.22566"
                           xFract="0.50067062"
                           y3="6.32206"
                           yFract="0.74905924"
                           z3="4.24199"
                           zFract="0.19090864"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00576"
                           xFract="0.00068246"
                           y3="6.31222"
                           yFract="0.74789336"
                           z3="8.39912"
                           zFract="0.3779982"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31272"
                           xFract="0.74795261"
                           y3="4.22097"
                           yFract="0.50011493"
                           z3="4.21389"
                           zFract="0.18964401"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32057"
                           xFract="0.7488827"
                           y3="6.31007"
                           yFract="0.74763863"
                           z3="6.33611"
                           zFract="0.28515347"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.31909"
                           xFract="0.74870735"
                           y3="4.22153"
                           yFract="0.50018128"
                           z3="8.47973"
                           zFract="0.38162601"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42101"
                           xFract="0.99775"
                           y3="2.11505"
                           yFract="0.25059834"
                           z3="4.23518"
                           zFract="0.19060216"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20472"
                           xFract="0.49818957"
                           y3="2.06567"
                           yFract="0.24474763"
                           z3="4.25371"
                           zFract="0.19143609"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.24251"
                           xFract="0.50266706"
                           y3="6.31115"
                           yFract="0.74776659"
                           z3="8.43886"
                           zFract="0.37978668"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32135"
                           xFract="0.74897512"
                           y3="8.41509"
                           yFract="0.99704858"
                           z3="8.43759"
                           zFract="0.37972952"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.12927"
                           xFract="0.25228318"
                           y3="2.09979"
                           yFract="0.24879028"
                           z3="6.3287"
                           zFract="0.28481998"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11392"
                           xFract="0.25046445"
                           y3="4.22981"
                           yFract="0.50116232"
                           z3="8.4441"
                           zFract="0.3800225"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12784"
                           xFract="0.25211374"
                           y3="6.34381"
                           yFract="0.75163626"
                           z3="6.32104"
                           zFract="0.28447525"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.43017"
                           xFract="0.99883531"
                           y3="2.11748"
                           yFract="0.25088626"
                           z3="8.44725"
                           zFract="0.38016427"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.4033"
                           xFract="0.99565166"
                           y3="4.23495"
                           yFract="0.50177133"
                           z3="6.3610"
                           zFract="0.28627363"/>
                     <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="2.12244"
                           xFract="0.25147393"
                           y3="0.00228"
                           yFract="0.00027014"
                           z3="4.19177"
                           zFract="0.18864851"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.22787"
                           xFract="0.50093246"
                           y3="4.2100"
                           yFract="0.49881517"
                           z3="6.39612"
                           zFract="0.28785419"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.01182"
                           xFract="0.00140047"
                           y3="6.35419"
                           yFract="0.75286611"
                           z3="4.19331"
                           zFract="0.18871782"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.21315"
                           xFract="0.49918839"
                           y3="8.42955"
                           yFract="0.99876185"
                           z3="6.35574"
                           zFract="0.2860369"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33119"
                           xFract="0.750141"
                           y3="8.43505"
                           yFract="0.99941351"
                           z3="4.22854"
                           zFract="0.19030333"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22467"
                           xFract="0.50055332"
                           y3="2.10651"
                           yFract="0.24958649"
                           z3="8.55017"
                           zFract="0.38479613"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.09981"
                           xFract="0.24879265"
                           y3="4.22924"
                           yFract="0.50109479"
                           z3="4.25031"
                           zFract="0.19128308"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.00579"
                           xFract="0.00068602"
                           y3="8.43881"
                           yFract="0.999859"
                           z3="6.36565"
                           zFract="0.2864829"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13991"
                           xFract="0.25354384"
                           y3="8.42184"
                           yFract="0.99784834"
                           z3="8.50297"
                           zFract="0.38267192"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.3027"
                           xFract="0.7467654"
                           y3="2.11697"
                           yFract="0.25082583"
                           z3="6.37958"
                           zFract="0.28710981"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.01012"
                           xFract="0.00119905"
                           y3="2.13422"
                           yFract="0.25286967"
                           z3="6.34152"
                           zFract="0.28539694"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14256"
                           xFract="0.25385782"
                           y3="0.00338"
                           yFract="0.00040047"
                           z3="6.27939"
                           zFract="0.28260081"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36452"
                           xFract="0.99105687"
                           y3="0.09365"
                           yFract="0.01109597"
                           z3="4.23991"
                           zFract="0.19081503"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.42661"
                           xFract="0.99841351"
                           y3="8.43721"
                           yFract="0.99966943"
                           z3="8.49746"
                           zFract="0.38242394"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1045"
                           xFract="0.24934834"
                           y3="2.20725"
                           yFract="0.26152251"
                           z3="4.19972"
                           zFract="0.1890063"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08976"
                           xFract="0.2476019"
                           y3="2.11478"
                           yFract="0.25056635"
                           z3="8.47793"
                           zFract="0.381545"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20401"
                           xFract="0.49810545"
                           y3="2.11302"
                           yFract="0.25035782"
                           z3="6.30819"
                           zFract="0.28389694"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.28263"
                           xFract="0.74438744"
                           y3="8.40616"
                           yFract="0.99599052"
                           z3="6.34737"
                           zFract="0.28566022"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30747"
                           xFract="0.51036374"
                           y3="8.42793"
                           yFract="0.99856991"
                           z3="4.17228"
                           zFract="0.18777138"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24614"
                           xFract="0.50309716"
                           y3="8.4071"
                           yFract="0.9961019"
                           z3="8.66861"
                           zFract="0.39012646"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31439"
                           xFract="0.74815047"
                           y3="2.27583"
                           yFract="0.2696481"
                           z3="4.18015"
                           zFract="0.18812556"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34471"
                           xFract="0.75174289"
                           y3="2.08689"
                           yFract="0.24726185"
                           z3="8.52832"
                           zFract="0.38381278"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00158"
                           xFract="0.0001872"
                           y3="6.32002"
                           yFract="0.74881754"
                           z3="6.28847"
                           zFract="0.28300945"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06281"
                           xFract="0.24440877"
                           y3="4.21756"
                           yFract="0.4997109"
                           z3="6.37155"
                           zFract="0.28674842"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.30636"
                           xFract="0.98416588"
                           y3="4.15884"
                           yFract="0.49275355"
                           z3="4.26427"
                           zFract="0.19191134"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0035"
                           xFract="0.00041469"
                           y3="4.21839"
                           yFract="0.49980924"
                           z3="8.46995"
                           zFract="0.38118587"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.19868"
                           xFract="0.26050711"
                           y3="6.25101"
                           yFract="0.740641"
                           z3="4.23669"
                           zFract="0.19067012"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12311"
                           xFract="0.25155332"
                           y3="6.32028"
                           yFract="0.74884834"
                           z3="8.43027"
                           zFract="0.37940009"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23104"
                           xFract="0.50130806"
                           y3="6.30806"
                           yFract="0.74740047"
                           z3="6.33522"
                           zFract="0.28511341"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3359"
                           xFract="0.75069905"
                           y3="4.24808"
                           yFract="0.50332701"
                           z3="6.41692"
                           zFract="0.28879028"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34662"
                           xFract="0.51500237"
                           y3="4.20721"
                           yFract="0.4984846"
                           z3="4.20446"
                           zFract="0.18921962"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2145"
                           xFract="0.49934834"
                           y3="4.22855"
                           yFract="0.50101303"
                           z3="8.64634"
                           zFract="0.38912421"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.26189"
                           xFract="0.74193009"
                           y3="6.17053"
                           yFract="0.73110545"
                           z3="4.26352"
                           zFract="0.19187759"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35013"
                           xFract="0.75238507"
                           y3="6.3231"
                           yFract="0.74918246"
                           z3="8.42255"
                           zFract="0.37905266"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a3 a57" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a71" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                     <bond atomRefs2="a22 a44" 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="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a71" order="S"/>
                     <bond atomRefs2="a39 a58" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.10734"
                           xFract="0.24968483"
                           y3="6.32436"
                           yFract="0.74933175"
                           z3="9.40524"
                           zFract="0.42327813"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23545"
                           xFract="0.50183057"
                           y3="6.32069"
                           yFract="0.74889692"
                           z3="4.2327"
                           zFract="0.19049055"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.07469"
                           xFract="-0.00884953"
                           y3="6.30998"
                           yFract="0.74762796"
                           z3="8.41389"
                           zFract="0.37866292"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31782"
                           xFract="0.74855687"
                           y3="4.22373"
                           yFract="0.50044194"
                           z3="4.21438"
                           zFract="0.18966607"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32415"
                           xFract="0.74930687"
                           y3="6.30748"
                           yFract="0.74733175"
                           z3="6.33229"
                           zFract="0.28498155"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3186"
                           xFract="0.74864929"
                           y3="4.22618"
                           yFract="0.50073223"
                           z3="8.48493"
                           zFract="0.38186004"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41885"
                           xFract="0.99749408"
                           y3="2.12401"
                           yFract="0.25165995"
                           z3="4.23024"
                           zFract="0.19037984"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21489"
                           xFract="0.49939455"
                           y3="2.07578"
                           yFract="0.2459455"
                           z3="4.24179"
                           zFract="0.19089964"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.33627"
                           xFract="0.51377607"
                           y3="6.30643"
                           yFract="0.74720735"
                           z3="8.40522"
                           zFract="0.37827273"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32475"
                           xFract="0.74937796"
                           y3="8.41195"
                           yFract="0.99667654"
                           z3="8.4299"
                           zFract="0.37938344"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1306"
                           xFract="0.25244076"
                           y3="2.09994"
                           yFract="0.24880806"
                           z3="6.31524"
                           zFract="0.28421422"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11041"
                           xFract="0.25004858"
                           y3="4.14142"
                           yFract="0.49068957"
                           z3="8.41223"
                           zFract="0.37858821"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12489"
                           xFract="0.25176422"
                           y3="6.34419"
                           yFract="0.75168128"
                           z3="6.24022"
                           zFract="0.28083798"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.4264"
                           xFract="0.99838863"
                           y3="2.12098"
                           yFract="0.25130095"
                           z3="8.4401"
                           zFract="0.37984248"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39463"
                           xFract="0.99462441"
                           y3="4.23402"
                           yFract="0.50166114"
                           z3="6.34905"
                           zFract="0.28573582"/>
                     <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="2.12007"
                           xFract="0.25119313"
                           y3="-0.00108"
                           yFract="-0.00012796"
                           z3="4.18377"
                           zFract="0.18828848"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23433"
                           xFract="0.50169787"
                           y3="4.20609"
                           yFract="0.4983519"
                           z3="6.38693"
                           zFract="0.28744059"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0118"
                           xFract="0.0013981"
                           y3="6.35588"
                           yFract="0.75306635"
                           z3="4.19036"
                           zFract="0.18858506"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.21945"
                           xFract="0.49993483"
                           y3="8.43359"
                           yFract="0.99924052"
                           z3="6.3446"
                           zFract="0.28553555"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33107"
                           xFract="0.75012678"
                           y3="8.43427"
                           yFract="0.99932109"
                           z3="4.22653"
                           zFract="0.19021287"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22851"
                           xFract="0.50100829"
                           y3="2.11169"
                           yFract="0.25020024"
                           z3="8.54103"
                           zFract="0.38438479"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10172"
                           xFract="0.24901896"
                           y3="4.23026"
                           yFract="0.50121564"
                           z3="4.23993"
                           zFract="0.19081593"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00127"
                           xFract="-0.00015047"
                           y3="8.43992"
                           yFract="0.99999052"
                           z3="6.34802"
                           zFract="0.28568947"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13598"
                           xFract="0.2530782"
                           y3="0.08524"
                           yFract="0.01009953"
                           z3="8.47295"
                           zFract="0.38132088"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30186"
                           xFract="0.74666588"
                           y3="2.11895"
                           yFract="0.25106043"
                           z3="6.36804"
                           zFract="0.28659046"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.01376"
                           xFract="0.00163033"
                           y3="2.13304"
                           yFract="0.25272986"
                           z3="6.35707"
                           zFract="0.28609676"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13857"
                           xFract="0.25338507"
                           y3="-0.01342"
                           yFract="-0.00159005"
                           z3="6.31561"
                           zFract="0.28423087"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36799"
                           xFract="0.99146801"
                           y3="0.09477"
                           yFract="0.01122867"
                           z3="4.24462"
                           zFract="0.191027"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01182"
                           xFract="0.00140047"
                           y3="8.42745"
                           yFract="0.99851303"
                           z3="8.51168"
                           zFract="0.38306391"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10431"
                           xFract="0.24932583"
                           y3="2.20036"
                           yFract="0.26070616"
                           z3="4.20818"
                           zFract="0.18938704"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09156"
                           xFract="0.24781517"
                           y3="2.11374"
                           yFract="0.25044313"
                           z3="8.48659"
                           zFract="0.38193474"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20251"
                           xFract="0.49792773"
                           y3="2.11447"
                           yFract="0.25052962"
                           z3="6.31987"
                           zFract="0.28442259"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.28656"
                           xFract="0.74485308"
                           y3="8.40847"
                           yFract="0.99626422"
                           z3="6.35798"
                           zFract="0.28613771"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29786"
                           xFract="0.50922512"
                           y3="8.43073"
                           yFract="0.99890166"
                           z3="4.1697"
                           zFract="0.18765527"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21344"
                           xFract="0.49922275"
                           y3="8.38227"
                           yFract="0.99315995"
                           z3="8.68941"
                           zFract="0.39106256"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3117"
                           xFract="0.74783175"
                           y3="2.27021"
                           yFract="0.26898223"
                           z3="4.18574"
                           zFract="0.18837714"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34118"
                           xFract="0.75132464"
                           y3="2.08018"
                           yFract="0.24646682"
                           z3="8.53658"
                           zFract="0.38418452"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01961"
                           xFract="0.00232346"
                           y3="6.31914"
                           yFract="0.74871327"
                           z3="6.27936"
                           zFract="0.28259946"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05805"
                           xFract="0.24384479"
                           y3="4.23728"
                           yFract="0.50204739"
                           z3="6.40368"
                           zFract="0.28819442"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.31033"
                           xFract="0.98463626"
                           y3="4.15357"
                           yFract="0.49212915"
                           z3="4.26663"
                           zFract="0.19201755"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0273"
                           xFract="0.0032346"
                           y3="4.2271"
                           yFract="0.50084123"
                           z3="8.47918"
                           zFract="0.38160126"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20332"
                           xFract="0.26105687"
                           y3="6.25117"
                           yFract="0.74065995"
                           z3="4.24316"
                           zFract="0.1909613"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15443"
                           xFract="0.25526422"
                           y3="6.29665"
                           yFract="0.74604858"
                           z3="8.52746"
                           zFract="0.38377408"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20705"
                           xFract="0.49846564"
                           y3="6.30755"
                           yFract="0.74734005"
                           z3="6.36424"
                           zFract="0.28641944"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34121"
                           xFract="0.7513282"
                           y3="4.24702"
                           yFract="0.50320142"
                           z3="6.41652"
                           zFract="0.28877228"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33505"
                           xFract="0.51363152"
                           y3="4.20096"
                           yFract="0.49774408"
                           z3="4.20278"
                           zFract="0.18914401"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.18395"
                           xFract="0.49572867"
                           y3="4.25243"
                           yFract="0.50384242"
                           z3="8.66963"
                           zFract="0.39017237"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.25338"
                           xFract="0.7409218"
                           y3="6.1715"
                           yFract="0.73122038"
                           z3="4.26377"
                           zFract="0.19188884"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34722"
                           xFract="0.75204028"
                           y3="6.32728"
                           yFract="0.74967773"
                           z3="8.43334"
                           zFract="0.37953825"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a57" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.1104"
                           xFract="0.25004739"
                           y3="6.32357"
                           yFract="0.74923815"
                           z3="9.41008"
                           zFract="0.42349595"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23355"
                           xFract="0.50160545"
                           y3="6.32095"
                           yFract="0.74892773"
                           z3="4.2345"
                           zFract="0.19057156"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.05908"
                           xFract="-0.0070"
                           y3="6.31041"
                           yFract="0.74767891"
                           z3="8.41103"
                           zFract="0.3785342"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31683"
                           xFract="0.74843957"
                           y3="4.22319"
                           yFract="0.50037796"
                           z3="4.21428"
                           zFract="0.18966157"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32346"
                           xFract="0.74922512"
                           y3="6.30799"
                           yFract="0.74739218"
                           z3="6.33303"
                           zFract="0.28501485"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.31869"
                           xFract="0.74865995"
                           y3="4.22528"
                           yFract="0.50062559"
                           z3="8.48392"
                           zFract="0.38181458"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41927"
                           xFract="0.99754384"
                           y3="2.12227"
                           yFract="0.25145379"
                           z3="4.2312"
                           zFract="0.19042304"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21292"
                           xFract="0.49916114"
                           y3="2.07382"
                           yFract="0.24571327"
                           z3="4.2441"
                           zFract="0.1910036"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.31808"
                           xFract="0.51162085"
                           y3="6.30735"
                           yFract="0.74731635"
                           z3="8.41174"
                           zFract="0.37856616"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32409"
                           xFract="0.74929976"
                           y3="8.41256"
                           yFract="0.99674882"
                           z3="8.43139"
                           zFract="0.3794505"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13034"
                           xFract="0.25240995"
                           y3="2.09991"
                           yFract="0.2488045"
                           z3="6.31785"
                           zFract="0.28433168"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11109"
                           xFract="0.25012915"
                           y3="4.15857"
                           yFract="0.49272156"
                           z3="8.41842"
                           zFract="0.37886679"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12546"
                           xFract="0.25183175"
                           y3="6.34411"
                           yFract="0.7516718"
                           z3="6.2559"
                           zFract="0.28154365"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.42713"
                           xFract="0.99847512"
                           y3="2.1203"
                           yFract="0.25122038"
                           z3="8.44149"
                           zFract="0.37990504"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39631"
                           xFract="0.99482346"
                           y3="4.2342"
                           yFract="0.50168246"
                           z3="6.35137"
                           zFract="0.28584023"/>
                     <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="2.12053"
                           xFract="0.25124763"
                           y3="-0.00043"
                           yFract="-0.00005095"
                           z3="4.18533"
                           zFract="0.18835869"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23308"
                           xFract="0.50154976"
                           y3="4.20685"
                           yFract="0.49844194"
                           z3="6.38871"
                           zFract="0.2875207"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0118"
                           xFract="0.0013981"
                           y3="6.35555"
                           yFract="0.75302725"
                           z3="4.19094"
                           zFract="0.18861116"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.21822"
                           xFract="0.4997891"
                           y3="8.43281"
                           yFract="0.9991481"
                           z3="6.34676"
                           zFract="0.28563276"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33109"
                           xFract="0.75012915"
                           y3="8.43442"
                           yFract="0.99933886"
                           z3="4.22692"
                           zFract="0.19023042"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22777"
                           xFract="0.50092062"
                           y3="2.11069"
                           yFract="0.25008175"
                           z3="8.54281"
                           zFract="0.3844649"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10135"
                           xFract="0.24897512"
                           y3="4.23006"
                           yFract="0.50119194"
                           z3="4.24194"
                           zFract="0.19090639"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0001"
                           xFract="0.00001185"
                           y3="8.43971"
                           yFract="0.99996564"
                           z3="6.35144"
                           zFract="0.28584338"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13674"
                           xFract="0.25316825"
                           y3="0.06517"
                           yFract="0.00772156"
                           z3="8.47877"
                           zFract="0.38158281"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30202"
                           xFract="0.74668483"
                           y3="2.11856"
                           yFract="0.25101422"
                           z3="6.37028"
                           zFract="0.28669127"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.01305"
                           xFract="0.00154621"
                           y3="2.13327"
                           yFract="0.25275711"
                           z3="6.35405"
                           zFract="0.28596085"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13935"
                           xFract="0.25347749"
                           y3="-0.01016"
                           yFract="-0.00120379"
                           z3="6.30859"
                           zFract="0.28391494"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36732"
                           xFract="0.99138863"
                           y3="0.09455"
                           yFract="0.01120261"
                           z3="4.2437"
                           zFract="0.1909856"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.00693"
                           xFract="0.00082109"
                           y3="8.42934"
                           yFract="0.99873697"
                           z3="8.50892"
                           zFract="0.38293969"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10435"
                           xFract="0.24933057"
                           y3="2.2017"
                           yFract="0.26086493"
                           z3="4.20654"
                           zFract="0.18931323"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09121"
                           xFract="0.2477737"
                           y3="2.11394"
                           yFract="0.25046682"
                           z3="8.48491"
                           zFract="0.38185914"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2028"
                           xFract="0.49796209"
                           y3="2.11419"
                           yFract="0.25049645"
                           z3="6.3176"
                           zFract="0.28432043"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.2858"
                           xFract="0.74476303"
                           y3="8.40802"
                           yFract="0.9962109"
                           z3="6.35592"
                           zFract="0.286045"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29972"
                           xFract="0.5094455"
                           y3="8.43019"
                           yFract="0.99883768"
                           z3="4.1702"
                           zFract="0.18767777"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21978"
                           xFract="0.49997393"
                           y3="8.38709"
                           yFract="0.99373104"
                           z3="8.68537"
                           zFract="0.39088074"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31222"
                           xFract="0.74789336"
                           y3="2.2713"
                           yFract="0.26911137"
                           z3="4.18466"
                           zFract="0.18832853"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34186"
                           xFract="0.75140521"
                           y3="2.08148"
                           yFract="0.24662085"
                           z3="8.53498"
                           zFract="0.38411251"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01611"
                           xFract="0.00190877"
                           y3="6.31931"
                           yFract="0.74873341"
                           z3="6.28113"
                           zFract="0.28267912"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05897"
                           xFract="0.24395379"
                           y3="4.23345"
                           yFract="0.5015936"
                           z3="6.39744"
                           zFract="0.28791359"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.30956"
                           xFract="0.98454502"
                           y3="4.15459"
                           yFract="0.49225"
                           z3="4.26618"
                           zFract="0.1919973"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.02268"
                           xFract="0.0026872"
                           y3="4.22541"
                           yFract="0.500641"
                           z3="8.47739"
                           zFract="0.3815207"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20242"
                           xFract="0.26095024"
                           y3="6.25113"
                           yFract="0.74065521"
                           z3="4.24191"
                           zFract="0.19090504"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14836"
                           xFract="0.25454502"
                           y3="6.30124"
                           yFract="0.74659242"
                           z3="8.5086"
                           zFract="0.38292529"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21171"
                           xFract="0.49901777"
                           y3="6.30765"
                           yFract="0.7473519"
                           z3="6.35861"
                           zFract="0.28616607"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34018"
                           xFract="0.75120616"
                           y3="4.24723"
                           yFract="0.5032263"
                           z3="6.4166"
                           zFract="0.28877588"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3373"
                           xFract="0.5138981"
                           y3="4.20217"
                           yFract="0.49788744"
                           z3="4.2031"
                           zFract="0.18915842"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.18988"
                           xFract="0.49643128"
                           y3="4.24779"
                           yFract="0.50329265"
                           z3="8.66511"
                           zFract="0.38996895"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.25503"
                           xFract="0.7411173"
                           y3="6.17131"
                           yFract="0.73119787"
                           z3="4.26372"
                           zFract="0.19188659"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34779"
                           xFract="0.75210782"
                           y3="6.32647"
                           yFract="0.74958175"
                           z3="8.43125"
                           zFract="0.37944419"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a57" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                     <bond atomRefs2="a22 a44" 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="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a63" order="S"/>
                     <bond atomRefs2="a37 a48" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.09917"
                           xFract="0.24871682"
                           y3="6.32817"
                           yFract="0.74978318"
                           z3="9.46534"
                           zFract="0.4259829"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23939"
                           xFract="0.50229739"
                           y3="6.32058"
                           yFract="0.74888389"
                           z3="4.2297"
                           zFract="0.19035554"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10094"
                           xFract="-0.01195972"
                           y3="6.30934"
                           yFract="0.74755213"
                           z3="8.41573"
                           zFract="0.37874572"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31866"
                           xFract="0.7486564"
                           y3="4.22441"
                           yFract="0.50052251"
                           z3="4.21412"
                           zFract="0.18965437"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32544"
                           xFract="0.74945972"
                           y3="6.30669"
                           yFract="0.74723815"
                           z3="6.32846"
                           zFract="0.28480918"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.31699"
                           xFract="0.74845853"
                           y3="4.22572"
                           yFract="0.50067773"
                           z3="8.4872"
                           zFract="0.3819622"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41839"
                           xFract="0.99743957"
                           y3="2.12765"
                           yFract="0.25209123"
                           z3="4.22791"
                           zFract="0.19027498"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21861"
                           xFract="0.49983531"
                           y3="2.08039"
                           yFract="0.24649171"
                           z3="4.23012"
                           zFract="0.19037444"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.36388"
                           xFract="0.51704739"
                           y3="6.30393"
                           yFract="0.74691114"
                           z3="8.39394"
                           zFract="0.37776508"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3252"
                           xFract="0.74943128"
                           y3="8.4132"
                           yFract="0.99682464"
                           z3="8.42769"
                           zFract="0.37928398"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13107"
                           xFract="0.25249645"
                           y3="2.09985"
                           yFract="0.24879739"
                           z3="6.30803"
                           zFract="0.28388974"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11111"
                           xFract="0.25013152"
                           y3="4.11465"
                           yFract="0.48751777"
                           z3="8.4016"
                           zFract="0.37810981"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12437"
                           xFract="0.25170261"
                           y3="6.34418"
                           yFract="0.75168009"
                           z3="6.21745"
                           zFract="0.27981323"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.42279"
                           xFract="0.9979609"
                           y3="2.12225"
                           yFract="0.25145142"
                           z3="8.43782"
                           zFract="0.37973987"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39258"
                           xFract="0.99438152"
                           y3="4.23383"
                           yFract="0.50163863"
                           z3="6.3452"
                           zFract="0.28556256"/>
                     <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="2.11924"
                           xFract="0.25109479"
                           y3="-0.00217"
                           yFract="-0.00025711"
                           z3="4.18131"
                           zFract="0.18817777"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23612"
                           xFract="0.50190995"
                           y3="4.20554"
                           yFract="0.49828673"
                           z3="6.3846"
                           zFract="0.28733573"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.01145"
                           xFract="0.00135664"
                           y3="6.35646"
                           yFract="0.75313507"
                           z3="4.18896"
                           zFract="0.18852205"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2211"
                           xFract="0.50013033"
                           y3="8.4343"
                           yFract="0.99932464"
                           z3="6.34102"
                           zFract="0.28537444"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33063"
                           xFract="0.75007464"
                           y3="8.43399"
                           yFract="0.99928791"
                           z3="4.2257"
                           zFract="0.19017552"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.23256"
                           xFract="0.50148815"
                           y3="2.11408"
                           yFract="0.25048341"
                           z3="8.5379"
                           zFract="0.38424392"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10261"
                           xFract="0.24912441"
                           y3="4.22978"
                           yFract="0.50115877"
                           z3="4.23632"
                           zFract="0.19065347"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00353"
                           xFract="-0.00041825"
                           y3="0.00002"
                           yFract="0.00000237"
                           z3="6.34177"
                           zFract="0.28540819"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13583"
                           xFract="0.25306043"
                           y3="0.11749"
                           yFract="0.01392062"
                           z3="8.4610"
                           zFract="0.38078308"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30176"
                           xFract="0.74665403"
                           y3="2.11962"
                           yFract="0.25113981"
                           z3="6.36389"
                           zFract="0.28640369"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.01544"
                           xFract="0.00182938"
                           y3="2.13285"
                           yFract="0.25270735"
                           z3="6.36288"
                           zFract="0.28635824"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13698"
                           xFract="0.25319668"
                           y3="-0.01857"
                           yFract="-0.00220024"
                           z3="6.32899"
                           zFract="0.28483303"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3697"
                           xFract="0.99167062"
                           y3="0.09574"
                           yFract="0.0113436"
                           z3="4.24612"
                           zFract="0.19109451"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01979"
                           xFract="0.00234479"
                           y3="8.42362"
                           yFract="0.99805924"
                           z3="8.51738"
                           zFract="0.38332043"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10417"
                           xFract="0.24930924"
                           y3="2.19722"
                           yFract="0.26033412"
                           z3="4.21277"
                           zFract="0.18959361"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09153"
                           xFract="0.24781161"
                           y3="2.1148"
                           yFract="0.25056872"
                           z3="8.48954"
                           zFract="0.38206751"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20176"
                           xFract="0.49783886"
                           y3="2.11512"
                           yFract="0.25060664"
                           z3="6.32308"
                           zFract="0.28456706"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.28852"
                           xFract="0.74508531"
                           y3="8.40903"
                           yFract="0.99633057"
                           z3="6.36224"
                           zFract="0.28632943"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29372"
                           xFract="0.5087346"
                           y3="8.43304"
                           yFract="0.99917536"
                           z3="4.16885"
                           zFract="0.18761701"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20315"
                           xFract="0.49800355"
                           y3="8.37458"
                           yFract="0.99224882"
                           z3="8.69721"
                           zFract="0.39141359"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31114"
                           xFract="0.7477654"
                           y3="2.26745"
                           yFract="0.26865521"
                           z3="4.1891"
                           zFract="0.18852835"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33987"
                           xFract="0.75116943"
                           y3="2.07775"
                           yFract="0.24617891"
                           z3="8.53944"
                           zFract="0.38431323"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02518"
                           xFract="0.00298341"
                           y3="6.31895"
                           yFract="0.74869076"
                           z3="6.27919"
                           zFract="0.28259181"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05617"
                           xFract="0.24362204"
                           y3="4.24311"
                           yFract="0.50273815"
                           z3="6.41253"
                           zFract="0.28859271"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.31242"
                           xFract="0.98488389"
                           y3="4.1515"
                           yFract="0.49188389"
                           z3="4.26775"
                           zFract="0.19206796"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03427"
                           xFract="0.00406043"
                           y3="4.2298"
                           yFract="0.50116114"
                           z3="8.48308"
                           zFract="0.38177678"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20503"
                           xFract="0.26125948"
                           y3="6.2510"
                           yFract="0.74063981"
                           z3="4.24244"
                           zFract="0.19092889"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16614"
                           xFract="0.25665166"
                           y3="6.28631"
                           yFract="0.74482346"
                           z3="8.49519"
                           zFract="0.38232178"/>
                     <atom elementType="O"
                           id="a72"
                           x3="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="6.30721"
                           yFract="0.74729976"
                           z3="6.37245"
                           zFract="0.28678893"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34343"
                           xFract="0.75159123"
                           y3="4.24682"
                           yFract="0.50317773"
                           z3="6.41678"
                           zFract="0.28878398"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33037"
                           xFract="0.51307701"
                           y3="4.19771"
                           yFract="0.497359"
                           z3="4.2023"
                           zFract="0.18912241"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.17526"
                           xFract="0.49469905"
                           y3="4.25846"
                           yFract="0.50455687"
                           z3="8.6784"
                           zFract="0.39056706"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.25077"
                           xFract="0.74061256"
                           y3="6.1719"
                           yFract="0.73126777"
                           z3="4.26391"
                           zFract="0.19189514"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34792"
                           xFract="0.75212322"
                           y3="6.32918"
                           yFract="0.74990284"
                           z3="8.43859"
                           zFract="0.37977453"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a57" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a12" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                     <bond atomRefs2="a22 a44" 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="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.09915"
                           xFract="0.24871445"
                           y3="6.32818"
                           yFract="0.74978436"
                           z3="9.46547"
                           zFract="0.42598875"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2394"
                           xFract="0.50229858"
                           y3="6.32058"
                           yFract="0.74888389"
                           z3="4.22969"
                           zFract="0.19035509"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10104"
                           xFract="-0.01197156"
                           y3="6.30933"
                           yFract="0.74755095"
                           z3="8.41574"
                           zFract="0.37874617"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31867"
                           xFract="0.74865758"
                           y3="4.22442"
                           yFract="0.5005237"
                           z3="4.21412"
                           zFract="0.18965437"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32545"
                           xFract="0.7494609"
                           y3="6.30668"
                           yFract="0.74723697"
                           z3="6.32845"
                           zFract="0.28480873"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.31699"
                           xFract="0.74845853"
                           y3="4.22572"
                           yFract="0.50067773"
                           z3="8.48721"
                           zFract="0.38196265"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41839"
                           xFract="0.99743957"
                           y3="2.12766"
                           yFract="0.25209242"
                           z3="4.2279"
                           zFract="0.19027453"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21862"
                           xFract="0.49983649"
                           y3="2.0804"
                           yFract="0.24649289"
                           z3="4.23009"
                           zFract="0.19037309"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.36398"
                           xFract="0.51705924"
                           y3="6.30392"
                           yFract="0.74690995"
                           z3="8.3939"
                           zFract="0.37776328"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3252"
                           xFract="0.74943128"
                           y3="8.4132"
                           yFract="0.99682464"
                           z3="8.42768"
                           zFract="0.37928353"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13107"
                           xFract="0.25249645"
                           y3="2.09985"
                           yFract="0.24879739"
                           z3="6.3080"
                           zFract="0.28388839"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11111"
                           xFract="0.25013152"
                           y3="4.11456"
                           yFract="0.48750711"
                           z3="8.40156"
                           zFract="0.37810801"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12437"
                           xFract="0.25170261"
                           y3="6.34418"
                           yFract="0.75168009"
                           z3="6.21736"
                           zFract="0.27980918"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.42279"
                           xFract="0.9979609"
                           y3="2.12225"
                           yFract="0.25145142"
                           z3="8.43781"
                           zFract="0.37973942"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39258"
                           xFract="0.99438152"
                           y3="4.23383"
                           yFract="0.50163863"
                           z3="6.34519"
                           zFract="0.28556211"/>
                     <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="2.11924"
                           xFract="0.25109479"
                           y3="-0.00218"
                           yFract="-0.00025829"
                           z3="4.1813"
                           zFract="0.18817732"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23613"
                           xFract="0.50191114"
                           y3="4.20554"
                           yFract="0.49828673"
                           z3="6.38459"
                           zFract="0.28733528"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.01145"
                           xFract="0.00135664"
                           y3="6.35647"
                           yFract="0.75313626"
                           z3="4.18896"
                           zFract="0.18852205"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2211"
                           xFract="0.50013033"
                           y3="8.4343"
                           yFract="0.99932464"
                           z3="6.3410"
                           zFract="0.28537354"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33063"
                           xFract="0.75007464"
                           y3="8.43399"
                           yFract="0.99928791"
                           z3="4.2257"
                           zFract="0.19017552"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.23257"
                           xFract="0.50148934"
                           y3="2.11408"
                           yFract="0.25048341"
                           z3="8.53789"
                           zFract="0.38424347"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10262"
                           xFract="0.24912559"
                           y3="4.22978"
                           yFract="0.50115877"
                           z3="4.2363"
                           zFract="0.19065257"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00354"
                           xFract="-0.00041943"
                           y3="0.00002"
                           yFract="0.00000237"
                           z3="6.34175"
                           zFract="0.28540729"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13583"
                           xFract="0.25306043"
                           y3="0.11761"
                           yFract="0.01393483"
                           z3="8.46096"
                           zFract="0.38078128"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30176"
                           xFract="0.74665403"
                           y3="2.11962"
                           yFract="0.25113981"
                           z3="6.36388"
                           zFract="0.28640324"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.01545"
                           xFract="0.00183057"
                           y3="2.13285"
                           yFract="0.25270735"
                           z3="6.3629"
                           zFract="0.28635914"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13697"
                           xFract="0.2531955"
                           y3="-0.01859"
                           yFract="-0.00220261"
                           z3="6.32904"
                           zFract="0.28483528"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36971"
                           xFract="0.9916718"
                           y3="0.09574"
                           yFract="0.0113436"
                           z3="4.24612"
                           zFract="0.19109451"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01982"
                           xFract="0.00234834"
                           y3="8.4236"
                           yFract="0.99805687"
                           z3="8.5174"
                           zFract="0.38332133"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10417"
                           xFract="0.24930924"
                           y3="2.19721"
                           yFract="0.26033294"
                           z3="4.21279"
                           zFract="0.18959451"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09153"
                           xFract="0.24781161"
                           y3="2.1148"
                           yFract="0.25056872"
                           z3="8.48955"
                           zFract="0.38206796"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20176"
                           xFract="0.49783886"
                           y3="2.11512"
                           yFract="0.25060664"
                           z3="6.3231"
                           zFract="0.28456796"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.28852"
                           xFract="0.74508531"
                           y3="8.40903"
                           yFract="0.99633057"
                           z3="6.36225"
                           zFract="0.28632988"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2937"
                           xFract="0.50873223"
                           y3="8.43304"
                           yFract="0.99917536"
                           z3="4.16884"
                           zFract="0.18761656"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20312"
                           xFract="0.4980"
                           y3="8.37455"
                           yFract="0.99224526"
                           z3="8.69723"
                           zFract="0.39141449"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31114"
                           xFract="0.7477654"
                           y3="2.26744"
                           yFract="0.26865403"
                           z3="4.18911"
                           zFract="0.1885288"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33986"
                           xFract="0.75116825"
                           y3="2.07774"
                           yFract="0.24617773"
                           z3="8.53945"
                           zFract="0.38431368"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0252"
                           xFract="0.00298578"
                           y3="6.31895"
                           yFract="0.74869076"
                           z3="6.27919"
                           zFract="0.28259181"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05616"
                           xFract="0.24362085"
                           y3="4.24313"
                           yFract="0.50274052"
                           z3="6.41257"
                           zFract="0.28859451"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.31243"
                           xFract="0.98488507"
                           y3="4.15149"
                           yFract="0.4918827"
                           z3="4.26776"
                           zFract="0.19206841"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03429"
                           xFract="0.0040628"
                           y3="4.22981"
                           yFract="0.50116232"
                           z3="8.4831"
                           zFract="0.38177768"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20503"
                           xFract="0.26125948"
                           y3="6.2510"
                           yFract="0.74063981"
                           z3="4.24245"
                           zFract="0.19092934"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16618"
                           xFract="0.2566564"
                           y3="6.28628"
                           yFract="0.74481991"
                           z3="8.49516"
                           zFract="0.38232043"/>
                     <atom elementType="O"
                           id="a72"
                           x3="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="6.30721"
                           yFract="0.74729976"
                           z3="6.37248"
                           zFract="0.28679028"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34344"
                           xFract="0.75159242"
                           y3="4.24681"
                           yFract="0.50317654"
                           z3="6.41678"
                           zFract="0.28878398"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33035"
                           xFract="0.51307464"
                           y3="4.1977"
                           yFract="0.49735782"
                           z3="4.20229"
                           zFract="0.18912196"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.17523"
                           xFract="0.4946955"
                           y3="4.25848"
                           yFract="0.50455924"
                           z3="8.67843"
                           zFract="0.39056841"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.25076"
                           xFract="0.74061137"
                           y3="6.1719"
                           yFract="0.73126777"
                           z3="4.26391"
                           zFract="0.19189514"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34792"
                           xFract="0.75212322"
                           y3="6.32919"
                           yFract="0.74990403"
                           z3="8.43861"
                           zFract="0.37977543"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a57" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a12" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                     <bond atomRefs2="a22 a44" 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="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.0991"
                           xFract="0.24870853"
                           y3="6.3282"
                           yFract="0.74978673"
                           z3="9.46572"
                           zFract="0.4260"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23943"
                           xFract="0.50230213"
                           y3="6.32058"
                           yFract="0.74888389"
                           z3="4.22967"
                           zFract="0.19035419"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10122"
                           xFract="-0.01199289"
                           y3="6.30933"
                           yFract="0.74755095"
                           z3="8.41577"
                           zFract="0.37874752"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31868"
                           xFract="0.74865877"
                           y3="4.22442"
                           yFract="0.5005237"
                           z3="4.21411"
                           zFract="0.18965392"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32545"
                           xFract="0.7494609"
                           y3="6.30668"
                           yFract="0.74723697"
                           z3="6.32843"
                           zFract="0.28480783"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.31698"
                           xFract="0.74845735"
                           y3="4.22572"
                           yFract="0.50067773"
                           z3="8.48723"
                           zFract="0.38196355"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41838"
                           xFract="0.99743839"
                           y3="2.12768"
                           yFract="0.25209479"
                           z3="4.22789"
                           zFract="0.19027408"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21865"
                           xFract="0.49984005"
                           y3="2.08043"
                           yFract="0.24649645"
                           z3="4.23002"
                           zFract="0.19036994"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.36419"
                           xFract="0.51708412"
                           y3="6.30391"
                           yFract="0.74690877"
                           z3="8.39382"
                           zFract="0.37775968"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32521"
                           xFract="0.74943246"
                           y3="8.41321"
                           yFract="0.99682583"
                           z3="8.42766"
                           zFract="0.37928263"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13107"
                           xFract="0.25249645"
                           y3="2.09985"
                           yFract="0.24879739"
                           z3="6.30796"
                           zFract="0.28388659"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11111"
                           xFract="0.25013152"
                           y3="4.11436"
                           yFract="0.48748341"
                           z3="8.40149"
                           zFract="0.37810486"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12436"
                           xFract="0.25170142"
                           y3="6.34418"
                           yFract="0.75168009"
                           z3="6.21719"
                           zFract="0.27980153"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.42277"
                           xFract="0.99795853"
                           y3="2.12226"
                           yFract="0.25145261"
                           z3="8.43779"
                           zFract="0.37973852"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39256"
                           xFract="0.99437915"
                           y3="4.23383"
                           yFract="0.50163863"
                           z3="6.34516"
                           zFract="0.28556076"/>
                     <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="2.11923"
                           xFract="0.2510936"
                           y3="-0.00219"
                           yFract="-0.00025948"
                           z3="4.18128"
                           zFract="0.18817642"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23614"
                           xFract="0.50191232"
                           y3="4.20553"
                           yFract="0.49828555"
                           z3="6.38457"
                           zFract="0.28733438"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.01144"
                           xFract="0.00135545"
                           y3="6.35647"
                           yFract="0.75313626"
                           z3="4.18895"
                           zFract="0.1885216"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22112"
                           xFract="0.5001327"
                           y3="8.43431"
                           yFract="0.99932583"
                           z3="6.34098"
                           zFract="0.28537264"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33063"
                           xFract="0.75007464"
                           y3="8.43399"
                           yFract="0.99928791"
                           z3="4.22569"
                           zFract="0.19017507"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.23259"
                           xFract="0.50149171"
                           y3="2.1141"
                           yFract="0.25048578"
                           z3="8.53787"
                           zFract="0.38424257"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10262"
                           xFract="0.24912559"
                           y3="4.22977"
                           yFract="0.50115758"
                           z3="4.23628"
                           zFract="0.19065167"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00356"
                           xFract="-0.0004218"
                           y3="0.00002"
                           yFract="0.00000237"
                           z3="6.34171"
                           zFract="0.28540549"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13582"
                           xFract="0.25305924"
                           y3="0.11785"
                           yFract="0.01396327"
                           z3="8.46088"
                           zFract="0.38077768"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30176"
                           xFract="0.74665403"
                           y3="2.11963"
                           yFract="0.251141"
                           z3="6.36385"
                           zFract="0.28640189"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.01546"
                           xFract="0.00183175"
                           y3="2.13285"
                           yFract="0.25270735"
                           z3="6.36294"
                           zFract="0.28636094"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13696"
                           xFract="0.25319431"
                           y3="-0.01863"
                           yFract="-0.00220735"
                           z3="6.32913"
                           zFract="0.28483933"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36972"
                           xFract="0.99167299"
                           y3="0.09575"
                           yFract="0.01134479"
                           z3="4.24613"
                           zFract="0.19109496"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01988"
                           xFract="0.00235545"
                           y3="8.42358"
                           yFract="0.9980545"
                           z3="8.51743"
                           zFract="0.38332268"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10417"
                           xFract="0.24930924"
                           y3="2.19719"
                           yFract="0.26033057"
                           z3="4.21282"
                           zFract="0.18959586"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09153"
                           xFract="0.24781161"
                           y3="2.11481"
                           yFract="0.25056991"
                           z3="8.48957"
                           zFract="0.38206886"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20175"
                           xFract="0.49783768"
                           y3="2.11512"
                           yFract="0.25060664"
                           z3="6.32312"
                           zFract="0.28456886"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.28853"
                           xFract="0.74508649"
                           y3="8.40903"
                           yFract="0.99633057"
                           z3="6.36228"
                           zFract="0.28633123"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29368"
                           xFract="0.50872986"
                           y3="8.43306"
                           yFract="0.99917773"
                           z3="4.16884"
                           zFract="0.18761656"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20304"
                           xFract="0.49799052"
                           y3="8.37449"
                           yFract="0.99223815"
                           z3="8.69729"
                           zFract="0.39141719"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31114"
                           xFract="0.7477654"
                           y3="2.26742"
                           yFract="0.26865166"
                           z3="4.18913"
                           zFract="0.1885297"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33985"
                           xFract="0.75116706"
                           y3="2.07772"
                           yFract="0.24617536"
                           z3="8.53947"
                           zFract="0.38431458"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02524"
                           xFract="0.00299052"
                           y3="6.31895"
                           yFract="0.74869076"
                           z3="6.27918"
                           zFract="0.28259136"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05615"
                           xFract="0.24361967"
                           y3="4.24317"
                           yFract="0.50274526"
                           z3="6.41264"
                           zFract="0.28859766"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.31244"
                           xFract="0.98488626"
                           y3="4.15148"
                           yFract="0.49188152"
                           z3="4.26777"
                           zFract="0.19206886"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03434"
                           xFract="0.00406872"
                           y3="4.22983"
                           yFract="0.50116469"
                           z3="8.48312"
                           zFract="0.38177858"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20504"
                           xFract="0.26126066"
                           y3="6.2510"
                           yFract="0.74063981"
                           z3="4.24245"
                           zFract="0.19092934"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16626"
                           xFract="0.25666588"
                           y3="6.28621"
                           yFract="0.74481161"
                           z3="8.4951"
                           zFract="0.38231773"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19944"
                           xFract="0.49756398"
                           y3="6.30721"
                           yFract="0.74729976"
                           z3="6.37254"
                           zFract="0.28679298"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34346"
                           xFract="0.75159479"
                           y3="4.24681"
                           yFract="0.50317654"
                           z3="6.41678"
                           zFract="0.28878398"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33032"
                           xFract="0.51307109"
                           y3="4.19768"
                           yFract="0.49735545"
                           z3="4.20229"
                           zFract="0.18912196"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.17516"
                           xFract="0.4946872"
                           y3="4.25853"
                           yFract="0.50456517"
                           z3="8.67849"
                           zFract="0.39057111"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.25074"
                           xFract="0.740609"
                           y3="6.1719"
                           yFract="0.73126777"
                           z3="4.26391"
                           zFract="0.19189514"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34792"
                           xFract="0.75212322"
                           y3="6.3292"
                           yFract="0.74990521"
                           z3="8.43864"
                           zFract="0.37977678"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a57" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a12" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                     <bond atomRefs2="a22 a44" 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="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.09899"
                           xFract="0.2486955"
                           y3="6.32824"
                           yFract="0.74979147"
                           z3="9.46622"
                           zFract="0.4260225"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23948"
                           xFract="0.50230806"
                           y3="6.32057"
                           yFract="0.7488827"
                           z3="4.22963"
                           zFract="0.19035239"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.1016"
                           xFract="-0.01203791"
                           y3="6.30932"
                           yFract="0.74754976"
                           z3="8.41581"
                           zFract="0.37874932"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31869"
                           xFract="0.74865995"
                           y3="4.22443"
                           yFract="0.50052488"
                           z3="4.21411"
                           zFract="0.18965392"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32547"
                           xFract="0.74946327"
                           y3="6.30667"
                           yFract="0.74723578"
                           z3="6.32839"
                           zFract="0.28480603"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.31697"
                           xFract="0.74845616"
                           y3="4.22573"
                           yFract="0.50067891"
                           z3="8.48726"
                           zFract="0.3819649"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41838"
                           xFract="0.99743839"
                           y3="2.12773"
                           yFract="0.25210071"
                           z3="4.22786"
                           zFract="0.19027273"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2187"
                           xFract="0.49984597"
                           y3="2.08049"
                           yFract="0.24650355"
                           z3="4.2299"
                           zFract="0.19036454"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.3646"
                           xFract="0.5171327"
                           y3="6.30388"
                           yFract="0.74690521"
                           z3="8.39366"
                           zFract="0.37775248"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32522"
                           xFract="0.74943365"
                           y3="8.41321"
                           yFract="0.99682583"
                           z3="8.42763"
                           zFract="0.37928128"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13108"
                           xFract="0.25249763"
                           y3="2.09985"
                           yFract="0.24879739"
                           z3="6.30787"
                           zFract="0.28388254"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11111"
                           xFract="0.25013152"
                           y3="4.11396"
                           yFract="0.48743602"
                           z3="8.40134"
                           zFract="0.37809811"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12435"
                           xFract="0.25170024"
                           y3="6.34418"
                           yFract="0.75168009"
                           z3="6.21684"
                           zFract="0.27978578"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.42273"
                           xFract="0.99795379"
                           y3="2.12228"
                           yFract="0.25145498"
                           z3="8.43776"
                           zFract="0.37973717"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39253"
                           xFract="0.99437559"
                           y3="4.23382"
                           yFract="0.50163744"
                           z3="6.3451"
                           zFract="0.28555806"/>
                     <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="2.11922"
                           xFract="0.25109242"
                           y3="-0.0022"
                           yFract="-0.00026066"
                           z3="4.18124"
                           zFract="0.18817462"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23617"
                           xFract="0.50191588"
                           y3="4.20552"
                           yFract="0.49828436"
                           z3="6.38453"
                           zFract="0.28733258"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.01144"
                           xFract="0.00135545"
                           y3="6.35648"
                           yFract="0.75313744"
                           z3="4.18893"
                           zFract="0.1885207"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22114"
                           xFract="0.50013507"
                           y3="8.43432"
                           yFract="0.99932701"
                           z3="6.34093"
                           zFract="0.28537039"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33062"
                           xFract="0.75007346"
                           y3="8.43398"
                           yFract="0.99928673"
                           z3="4.22568"
                           zFract="0.19017462"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.23264"
                           xFract="0.50149763"
                           y3="2.11413"
                           yFract="0.25048934"
                           z3="8.53782"
                           zFract="0.38424032"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10263"
                           xFract="0.24912678"
                           y3="4.22977"
                           yFract="0.50115758"
                           z3="4.23623"
                           zFract="0.19064941"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00359"
                           xFract="-0.00042536"
                           y3="0.00003"
                           yFract="0.00000355"
                           z3="6.34162"
                           zFract="0.28540144"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13581"
                           xFract="0.25305806"
                           y3="0.11832"
                           yFract="0.01401896"
                           z3="8.46072"
                           zFract="0.38077048"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30176"
                           xFract="0.74665403"
                           y3="2.11963"
                           yFract="0.251141"
                           z3="6.36379"
                           zFract="0.28639919"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.01548"
                           xFract="0.00183412"
                           y3="2.13284"
                           yFract="0.25270616"
                           z3="6.36302"
                           zFract="0.28636454"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13694"
                           xFract="0.25319194"
                           y3="-0.01871"
                           yFract="-0.00221682"
                           z3="6.32932"
                           zFract="0.28484788"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36974"
                           xFract="0.99167536"
                           y3="0.09576"
                           yFract="0.01134597"
                           z3="4.24615"
                           zFract="0.19109586"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0200"
                           xFract="0.00236967"
                           y3="8.42353"
                           yFract="0.99804858"
                           z3="8.51751"
                           zFract="0.38332628"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10417"
                           xFract="0.24930924"
                           y3="2.19715"
                           yFract="0.26032583"
                           z3="4.21287"
                           zFract="0.18959811"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09154"
                           xFract="0.2478128"
                           y3="2.11482"
                           yFract="0.25057109"
                           z3="8.48961"
                           zFract="0.38207066"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20174"
                           xFract="0.49783649"
                           y3="2.11513"
                           yFract="0.25060782"
                           z3="6.32317"
                           zFract="0.28457111"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.28856"
                           xFract="0.74509005"
                           y3="8.40904"
                           yFract="0.99633175"
                           z3="6.36234"
                           zFract="0.28633393"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29362"
                           xFract="0.50872275"
                           y3="8.43308"
                           yFract="0.99918009"
                           z3="4.16883"
                           zFract="0.18761611"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20289"
                           xFract="0.49797275"
                           y3="8.37438"
                           yFract="0.99222512"
                           z3="8.69739"
                           zFract="0.39142169"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31113"
                           xFract="0.74776422"
                           y3="2.26739"
                           yFract="0.2686481"
                           z3="4.18917"
                           zFract="0.1885315"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33984"
                           xFract="0.75116588"
                           y3="2.07769"
                           yFract="0.2461718"
                           z3="8.53951"
                           zFract="0.38431638"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02533"
                           xFract="0.00300118"
                           y3="6.31895"
                           yFract="0.74869076"
                           z3="6.27916"
                           zFract="0.28259046"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05612"
                           xFract="0.24361611"
                           y3="4.24326"
                           yFract="0.50275592"
                           z3="6.41277"
                           zFract="0.28860351"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.31246"
                           xFract="0.98488863"
                           y3="4.15145"
                           yFract="0.49187796"
                           z3="4.26778"
                           zFract="0.19206931"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03445"
                           xFract="0.00408175"
                           y3="4.22987"
                           yFract="0.50116943"
                           z3="8.48317"
                           zFract="0.38178083"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20507"
                           xFract="0.26126422"
                           y3="6.2510"
                           yFract="0.74063981"
                           z3="4.24245"
                           zFract="0.19092934"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16642"
                           xFract="0.25668483"
                           y3="6.28608"
                           yFract="0.74479621"
                           z3="8.49498"
                           zFract="0.38231233"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19933"
                           xFract="0.49755095"
                           y3="6.30721"
                           yFract="0.74729976"
                           z3="6.37267"
                           zFract="0.28679883"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34349"
                           xFract="0.75159834"
                           y3="4.24681"
                           yFract="0.50317654"
                           z3="6.41679"
                           zFract="0.28878443"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33026"
                           xFract="0.51306398"
                           y3="4.19764"
                           yFract="0.49735071"
                           z3="4.20228"
                           zFract="0.18912151"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.17503"
                           xFract="0.4946718"
                           y3="4.25863"
                           yFract="0.50457701"
                           z3="8.67861"
                           zFract="0.39057651"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.25071"
                           xFract="0.74060545"
                           y3="6.17191"
                           yFract="0.73126896"
                           z3="4.26392"
                           zFract="0.19189559"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34792"
                           xFract="0.75212322"
                           y3="6.32922"
                           yFract="0.74990758"
                           z3="8.43871"
                           zFract="0.37977993"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a57" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a12" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                     <bond atomRefs2="a22 a44" 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="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.9">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.09681"
                           xFract="0.2484372"
                           y3="6.32986"
                           yFract="0.74998341"
                           z3="9.47203"
                           zFract="0.42628398"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24068"
                           xFract="0.50245024"
                           y3="6.32074"
                           yFract="0.74890284"
                           z3="4.22915"
                           zFract="0.19033078"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10388"
                           xFract="-0.01230806"
                           y3="6.3091"
                           yFract="0.7475237"
                           z3="8.41478"
                           zFract="0.37870297"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31811"
                           xFract="0.74859123"
                           y3="4.22427"
                           yFract="0.50050592"
                           z3="4.21424"
                           zFract="0.18965977"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32588"
                           xFract="0.74951185"
                           y3="6.30655"
                           yFract="0.74722156"
                           z3="6.32493"
                           zFract="0.28465032"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.31467"
                           xFract="0.74818365"
                           y3="4.2232"
                           yFract="0.50037915"
                           z3="8.48919"
                           zFract="0.38205176"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41871"
                           xFract="0.99747749"
                           y3="2.1284"
                           yFract="0.25218009"
                           z3="4.22731"
                           zFract="0.19024797"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21969"
                           xFract="0.49996327"
                           y3="2.08311"
                           yFract="0.24681398"
                           z3="4.22549"
                           zFract="0.19016607"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.36386"
                           xFract="0.51704502"
                           y3="6.30212"
                           yFract="0.74669668"
                           z3="8.39191"
                           zFract="0.37767372"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32465"
                           xFract="0.74936611"
                           y3="8.41635"
                           yFract="0.99719787"
                           z3="8.42817"
                           zFract="0.37930558"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1313"
                           xFract="0.2525237"
                           y3="2.09979"
                           yFract="0.24879028"
                           z3="6.30319"
                           zFract="0.28367192"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11345"
                           xFract="0.25040877"
                           y3="4.11364"
                           yFract="0.4873981"
                           z3="8.40013"
                           zFract="0.37804365"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12453"
                           xFract="0.25172156"
                           y3="6.34386"
                           yFract="0.75164218"
                           z3="6.21735"
                           zFract="0.27980873"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41891"
                           xFract="0.99750118"
                           y3="2.12278"
                           yFract="0.25151422"
                           z3="8.43798"
                           zFract="0.37974707"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39341"
                           xFract="0.99447986"
                           y3="4.23473"
                           yFract="0.50174526"
                           z3="6.34519"
                           zFract="0.28556211"/>
                     <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="2.11884"
                           xFract="0.25104739"
                           y3="-0.00249"
                           yFract="-0.00029502"
                           z3="4.18121"
                           zFract="0.18817327"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23608"
                           xFract="0.50190521"
                           y3="4.20647"
                           yFract="0.49839692"
                           z3="6.38496"
                           zFract="0.28735194"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.01085"
                           xFract="0.00128555"
                           y3="6.35688"
                           yFract="0.75318483"
                           z3="4.18772"
                           zFract="0.18846625"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22077"
                           xFract="0.50009123"
                           y3="8.43364"
                           yFract="0.99924645"
                           z3="6.34014"
                           zFract="0.28533483"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33001"
                           xFract="0.75000118"
                           y3="8.43368"
                           yFract="0.99925118"
                           z3="4.22535"
                           zFract="0.19015977"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.23707"
                           xFract="0.50202251"
                           y3="2.11555"
                           yFract="0.25065758"
                           z3="8.53714"
                           zFract="0.38420972"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10308"
                           xFract="0.24918009"
                           y3="4.22873"
                           yFract="0.50103436"
                           z3="4.2355"
                           zFract="0.19061656"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00365"
                           xFract="-0.00043246"
                           y3="-0.00077"
                           yFract="-0.00009123"
                           z3="6.34053"
                           zFract="0.28535239"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.13727"
                           xFract="0.25323104"
                           y3="0.12086"
                           yFract="0.01431991"
                           z3="8.45652"
                           zFract="0.38058146"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30149"
                           xFract="0.74662204"
                           y3="2.11994"
                           yFract="0.25117773"
                           z3="6.36261"
                           zFract="0.28634608"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.01634"
                           xFract="0.00193602"
                           y3="2.13305"
                           yFract="0.25273104"
                           z3="6.36344"
                           zFract="0.28638344"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13656"
                           xFract="0.25314692"
                           y3="-0.01872"
                           yFract="-0.00221801"
                           z3="6.33237"
                           zFract="0.28498515"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3708"
                           xFract="0.99180095"
                           y3="0.09587"
                           yFract="0.011359"
                           z3="4.24582"
                           zFract="0.19108101"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02049"
                           xFract="0.00242773"
                           y3="8.42224"
                           yFract="0.99789573"
                           z3="8.51937"
                           zFract="0.38340999"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10509"
                           xFract="0.24941825"
                           y3="2.19568"
                           yFract="0.26015166"
                           z3="4.21481"
                           zFract="0.18968542"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09056"
                           xFract="0.24769668"
                           y3="2.11744"
                           yFract="0.25088152"
                           z3="8.49005"
                           zFract="0.38209046"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20126"
                           xFract="0.49777962"
                           y3="2.11551"
                           yFract="0.25065284"
                           z3="6.32341"
                           zFract="0.28458191"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.28948"
                           xFract="0.74519905"
                           y3="8.40887"
                           yFract="0.99631161"
                           z3="6.3638"
                           zFract="0.28639964"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29159"
                           xFract="0.50848223"
                           y3="8.43438"
                           yFract="0.99933412"
                           z3="4.16879"
                           zFract="0.18761431"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20202"
                           xFract="0.49786967"
                           y3="8.37387"
                           yFract="0.99216469"
                           z3="8.69952"
                           zFract="0.39151755"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31072"
                           xFract="0.74771564"
                           y3="2.26585"
                           yFract="0.26846564"
                           z3="4.19062"
                           zFract="0.18859676"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33954"
                           xFract="0.75113033"
                           y3="2.07695"
                           yFract="0.24608412"
                           z3="8.53996"
                           zFract="0.38433663"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02554"
                           xFract="0.00302607"
                           y3="6.31882"
                           yFract="0.74867536"
                           z3="6.27988"
                           zFract="0.28262286"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0554"
                           xFract="0.24353081"
                           y3="4.2429"
                           yFract="0.50271327"
                           z3="6.41045"
                           zFract="0.2884991"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.31381"
                           xFract="0.98504858"
                           y3="4.15187"
                           yFract="0.49192773"
                           z3="4.26862"
                           zFract="0.19210711"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0341"
                           xFract="0.00404028"
                           y3="4.2296"
                           yFract="0.50113744"
                           z3="8.48442"
                           zFract="0.38183708"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20619"
                           xFract="0.26139692"
                           y3="6.25062"
                           yFract="0.74059479"
                           z3="4.23777"
                           zFract="0.19071872"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16721"
                           xFract="0.25677844"
                           y3="6.28255"
                           yFract="0.74437796"
                           z3="8.50265"
                           zFract="0.38265752"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19916"
                           xFract="0.49753081"
                           y3="6.30665"
                           yFract="0.74723341"
                           z3="6.37145"
                           zFract="0.28674392"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34467"
                           xFract="0.75173815"
                           y3="4.24692"
                           yFract="0.50318957"
                           z3="6.41655"
                           zFract="0.28877363"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3282"
                           xFract="0.51281991"
                           y3="4.19643"
                           yFract="0.49720735"
                           z3="4.20163"
                           zFract="0.18909226"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.17582"
                           xFract="0.4947654"
                           y3="4.25708"
                           yFract="0.50439336"
                           z3="8.68175"
                           zFract="0.39071782"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.25016"
                           xFract="0.74054028"
                           y3="6.17212"
                           yFract="0.73129384"
                           z3="4.26418"
                           zFract="0.19190729"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34994"
                           xFract="0.75236256"
                           y3="6.33021"
                           yFract="0.75002488"
                           z3="8.44148"
                           zFract="0.37990459"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a57" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a12" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                     <bond atomRefs2="a22 a44" 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="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.10">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.09027"
                           xFract="0.24766232"
                           y3="6.33471"
                           yFract="0.75055806"
                           z3="9.48947"
                           zFract="0.42706886"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24429"
                           xFract="0.50287796"
                           y3="6.32124"
                           yFract="0.74896209"
                           z3="4.22771"
                           zFract="0.19026598"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.11072"
                           xFract="-0.01311848"
                           y3="6.30846"
                           yFract="0.74744787"
                           z3="8.4117"
                           zFract="0.37856436"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31637"
                           xFract="0.74838507"
                           y3="4.22378"
                           yFract="0.50044787"
                           z3="4.21461"
                           zFract="0.18967642"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.3271"
                           xFract="0.7496564"
                           y3="6.30619"
                           yFract="0.74717891"
                           z3="6.31455"
                           zFract="0.28418317"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30777"
                           xFract="0.74736611"
                           y3="4.21561"
                           yFract="0.49947986"
                           z3="8.49498"
                           zFract="0.38231233"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.41971"
                           xFract="0.99759597"
                           y3="2.13041"
                           yFract="0.25241825"
                           z3="4.22568"
                           zFract="0.19017462"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22266"
                           xFract="0.50031517"
                           y3="2.09095"
                           yFract="0.24774289"
                           z3="4.21229"
                           zFract="0.18957201"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.36163"
                           xFract="0.51678081"
                           y3="6.29686"
                           yFract="0.74607346"
                           z3="8.38668"
                           zFract="0.37743834"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32294"
                           xFract="0.74916351"
                           y3="8.42575"
                           yFract="0.99831161"
                           z3="8.4298"
                           zFract="0.37937894"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13198"
                           xFract="0.25260427"
                           y3="2.09959"
                           yFract="0.24876659"
                           z3="6.28915"
                           zFract="0.28304005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12046"
                           xFract="0.25123934"
                           y3="4.11268"
                           yFract="0.48728436"
                           z3="8.39651"
                           zFract="0.37788074"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12505"
                           xFract="0.25178318"
                           y3="6.3429"
                           yFract="0.75152844"
                           z3="6.21887"
                           zFract="0.27987714"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40746"
                           xFract="0.99614455"
                           y3="2.12431"
                           yFract="0.2516955"
                           z3="8.43863"
                           zFract="0.37977633"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39604"
                           xFract="0.99479147"
                           y3="4.23743"
                           yFract="0.50206517"
                           z3="6.34547"
                           zFract="0.28557471"/>
                     <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="2.1177"
                           xFract="0.25091232"
                           y3="-0.00336"
                           yFract="-0.0003981"
                           z3="4.18113"
                           zFract="0.18816967"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23581"
                           xFract="0.50187322"
                           y3="4.20932"
                           yFract="0.4987346"
                           z3="6.38625"
                           zFract="0.28740999"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00906"
                           xFract="0.00107346"
                           y3="6.35809"
                           yFract="0.7533282"
                           z3="4.18409"
                           zFract="0.18830288"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.21964"
                           xFract="0.49995735"
                           y3="8.4316"
                           yFract="0.99900474"
                           z3="6.3378"
                           zFract="0.28522952"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32818"
                           xFract="0.74978436"
                           y3="8.43276"
                           yFract="0.99914218"
                           z3="4.22434"
                           zFract="0.19011431"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.25038"
                           xFract="0.50359953"
                           y3="2.11981"
                           yFract="0.25116232"
                           z3="8.53508"
                           zFract="0.38411701"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10442"
                           xFract="0.24933886"
                           y3="4.2256"
                           yFract="0.50066351"
                           z3="4.23332"
                           zFract="0.19051845"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00384"
                           xFract="-0.00045498"
                           y3="-0.00317"
                           yFract="-0.00037559"
                           z3="6.33727"
                           zFract="0.28520567"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.14164"
                           xFract="0.25374882"
                           y3="0.12849"
                           yFract="0.01522393"
                           z3="8.44393"
                           zFract="0.38001485"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30067"
                           xFract="0.74652488"
                           y3="2.12085"
                           yFract="0.25128555"
                           z3="6.35906"
                           zFract="0.28618632"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.01891"
                           xFract="0.00224052"
                           y3="2.13368"
                           yFract="0.25280569"
                           z3="6.36469"
                           zFract="0.28643969"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13543"
                           xFract="0.25301303"
                           y3="-0.01875"
                           yFract="-0.00222156"
                           z3="6.34155"
                           zFract="0.28539829"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37398"
                           xFract="0.99217773"
                           y3="0.09619"
                           yFract="0.01139692"
                           z3="4.24482"
                           zFract="0.191036"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02197"
                           xFract="0.00260308"
                           y3="8.41839"
                           yFract="0.99743957"
                           z3="8.52496"
                           zFract="0.38366157"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10784"
                           xFract="0.24974408"
                           y3="2.19127"
                           yFract="0.25962915"
                           z3="4.22063"
                           zFract="0.18994734"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08765"
                           xFract="0.2473519"
                           y3="2.12531"
                           yFract="0.25181398"
                           z3="8.49137"
                           zFract="0.38214986"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19983"
                           xFract="0.49761019"
                           y3="2.11663"
                           yFract="0.25078555"
                           z3="6.32415"
                           zFract="0.28461521"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29223"
                           xFract="0.74552488"
                           y3="8.40835"
                           yFract="0.99625"
                           z3="6.36817"
                           zFract="0.28659631"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2855"
                           xFract="0.50776066"
                           y3="8.43826"
                           yFract="0.99979384"
                           z3="4.16869"
                           zFract="0.18760981"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19941"
                           xFract="0.49756043"
                           y3="8.37233"
                           yFract="0.99198223"
                           z3="8.7059"
                           zFract="0.39180468"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30949"
                           xFract="0.74756991"
                           y3="2.26124"
                           yFract="0.26791943"
                           z3="4.1950"
                           zFract="0.18879388"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33863"
                           xFract="0.75102251"
                           y3="2.07472"
                           yFract="0.24581991"
                           z3="8.54133"
                           zFract="0.38439829"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02618"
                           xFract="0.0031019"
                           y3="6.31844"
                           yFract="0.74863033"
                           z3="6.28205"
                           zFract="0.28272052"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05325"
                           xFract="0.24327607"
                           y3="4.24182"
                           yFract="0.50258531"
                           z3="6.40349"
                           zFract="0.28818587"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.31783"
                           xFract="0.98552488"
                           y3="4.15314"
                           yFract="0.4920782"
                           z3="4.27116"
                           zFract="0.19222142"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03304"
                           xFract="0.00391469"
                           y3="4.22878"
                           yFract="0.50104028"
                           z3="8.48816"
                           zFract="0.3820054"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.20957"
                           xFract="0.26179739"
                           y3="6.24946"
                           yFract="0.74045735"
                           z3="4.22372"
                           zFract="0.19008641"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16958"
                           xFract="0.25705924"
                           y3="6.27196"
                           yFract="0.74312322"
                           z3="8.52567"
                           zFract="0.38369352"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19866"
                           xFract="0.49747156"
                           y3="6.30496"
                           yFract="0.74703318"
                           z3="6.3678"
                           zFract="0.28657966"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34823"
                           xFract="0.75215995"
                           y3="4.24724"
                           yFract="0.50322749"
                           z3="6.41586"
                           zFract="0.28874257"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.32204"
                           xFract="0.51209005"
                           y3="4.1928"
                           yFract="0.49677725"
                           z3="4.19966"
                           zFract="0.1890036"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1782"
                           xFract="0.49504739"
                           y3="4.25243"
                           yFract="0.50384242"
                           z3="8.69117"
                           zFract="0.39114176"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.24853"
                           xFract="0.74034716"
                           y3="6.17274"
                           yFract="0.7313673"
                           z3="4.26499"
                           zFract="0.19194374"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35601"
                           xFract="0.75308175"
                           y3="6.33315"
                           yFract="0.75037322"
                           z3="8.44981"
                           zFract="0.38027948"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a57" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a12" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                     <bond atomRefs2="a22 a44" 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="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.11">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.07717"
                           xFract="0.24611019"
                           y3="6.34441"
                           yFract="0.75170735"
                           z3="9.52436"
                           zFract="0.42863906"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.25151"
                           xFract="0.50373341"
                           y3="6.32224"
                           yFract="0.74908057"
                           z3="4.22484"
                           zFract="0.19013681"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.12441"
                           xFract="-0.01474052"
                           y3="6.30717"
                           yFract="0.74729502"
                           z3="8.40553"
                           zFract="0.37828668"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31287"
                           xFract="0.74797038"
                           y3="4.2228"
                           yFract="0.50033175"
                           z3="4.21535"
                           zFract="0.18970972"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32955"
                           xFract="0.74994668"
                           y3="6.30549"
                           yFract="0.74709597"
                           z3="6.2938"
                           zFract="0.28324932"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29398"
                           xFract="0.74573223"
                           y3="4.20044"
                           yFract="0.49768246"
                           z3="8.50657"
                           zFract="0.38283393"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42171"
                           xFract="0.99783294"
                           y3="2.13442"
                           yFract="0.25289336"
                           z3="4.2224"
                           zFract="0.190027"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22859"
                           xFract="0.50101777"
                           y3="2.10665"
                           yFract="0.24960308"
                           z3="4.18588"
                           zFract="0.18838344"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.35718"
                           xFract="0.51625355"
                           y3="6.28634"
                           yFract="0.74482701"
                           z3="8.37623"
                           zFract="0.37696805"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31953"
                           xFract="0.74875948"
                           y3="0.00456"
                           yFract="0.00054028"
                           z3="8.43305"
                           zFract="0.3795252"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13333"
                           xFract="0.25276422"
                           y3="2.09919"
                           yFract="0.24871919"
                           z3="6.26107"
                           zFract="0.28177633"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13448"
                           xFract="0.25290047"
                           y3="4.11077"
                           yFract="0.48705806"
                           z3="8.38926"
                           zFract="0.37755446"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1261"
                           xFract="0.25190758"
                           y3="6.34097"
                           yFract="0.75129976"
                           z3="6.22192"
                           zFract="0.2800144"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.38455"
                           xFract="0.99343009"
                           y3="2.12735"
                           yFract="0.25205569"
                           z3="8.43993"
                           zFract="0.37983483"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40132"
                           xFract="0.99541706"
                           y3="4.24285"
                           yFract="0.50270735"
                           z3="6.34601"
                           zFract="0.28559901"/>
                     <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="2.11542"
                           xFract="0.25064218"
                           y3="-0.00511"
                           yFract="-0.00060545"
                           z3="4.18095"
                           zFract="0.18816157"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23527"
                           xFract="0.50180924"
                           y3="4.21503"
                           yFract="0.49941114"
                           z3="6.38884"
                           zFract="0.28752655"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0055"
                           xFract="0.00065166"
                           y3="6.3605"
                           yFract="0.75361374"
                           z3="4.17684"
                           zFract="0.1879766"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.21737"
                           xFract="0.49968839"
                           y3="8.42752"
                           yFract="0.99852133"
                           z3="6.33312"
                           zFract="0.2850189"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32452"
                           xFract="0.74935071"
                           y3="8.43091"
                           yFract="0.99892299"
                           z3="4.22234"
                           zFract="0.1900243"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2770"
                           xFract="0.50675355"
                           y3="2.12832"
                           yFract="0.25217062"
                           z3="8.53096"
                           zFract="0.38393159"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1071"
                           xFract="0.2496564"
                           y3="4.21934"
                           yFract="0.4999218"
                           z3="4.22896"
                           zFract="0.19032223"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00422"
                           xFract="-0.0005"
                           y3="-0.00797"
                           yFract="-0.00094431"
                           z3="6.33075"
                           zFract="0.28491224"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15038"
                           xFract="0.25478436"
                           y3="0.14375"
                           yFract="0.01703199"
                           z3="8.41873"
                           zFract="0.37888074"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.29903"
                           xFract="0.74633057"
                           y3="2.12267"
                           yFract="0.25150118"
                           z3="6.35196"
                           zFract="0.28586679"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02405"
                           xFract="0.00284953"
                           y3="2.13494"
                           yFract="0.25295498"
                           z3="6.36719"
                           zFract="0.28655221"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13316"
                           xFract="0.25274408"
                           y3="-0.01883"
                           yFract="-0.00223104"
                           z3="6.3599"
                           zFract="0.28622412"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.38034"
                           xFract="0.99293128"
                           y3="0.09684"
                           yFract="0.01147393"
                           z3="4.24282"
                           zFract="0.19094599"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02493"
                           xFract="0.00295379"
                           y3="8.41069"
                           yFract="0.99652725"
                           z3="8.53613"
                           zFract="0.38416427"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11334"
                           xFract="0.25039573"
                           y3="2.18244"
                           yFract="0.25858294"
                           z3="4.23226"
                           zFract="0.19047075"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08181"
                           xFract="0.24665995"
                           y3="2.14106"
                           yFract="0.25368009"
                           z3="8.4940"
                           zFract="0.38226823"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19696"
                           xFract="0.49727014"
                           y3="2.11886"
                           yFract="0.25104976"
                           z3="6.32561"
                           zFract="0.28468092"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29773"
                           xFract="0.74617654"
                           y3="8.40731"
                           yFract="0.99612678"
                           z3="6.37691"
                           zFract="0.28698965"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27333"
                           xFract="0.50631872"
                           y3="0.00603"
                           yFract="0.00071445"
                           z3="4.16849"
                           zFract="0.18760081"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19419"
                           xFract="0.49694194"
                           y3="8.36925"
                           yFract="0.9916173"
                           z3="8.71867"
                           zFract="0.39237939"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30703"
                           xFract="0.74727844"
                           y3="2.25202"
                           yFract="0.26682701"
                           z3="4.20375"
                           zFract="0.18918767"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33682"
                           xFract="0.75080806"
                           y3="2.07027"
                           yFract="0.24529265"
                           z3="8.54407"
                           zFract="0.3845216"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02746"
                           xFract="0.00325355"
                           y3="6.31768"
                           yFract="0.74854028"
                           z3="6.28639"
                           zFract="0.28291584"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.04894"
                           xFract="0.2427654"
                           y3="4.23966"
                           yFract="0.50232938"
                           z3="6.38957"
                           zFract="0.28755941"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.32587"
                           xFract="0.98647749"
                           y3="4.15566"
                           yFract="0.49237678"
                           z3="4.27623"
                           zFract="0.19244959"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03093"
                           xFract="0.00366469"
                           y3="4.22715"
                           yFract="0.50084716"
                           z3="8.49564"
                           zFract="0.38234203"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21631"
                           xFract="0.26259597"
                           y3="6.24715"
                           yFract="0.74018365"
                           z3="4.19563"
                           zFract="0.18882223"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17432"
                           xFract="0.25762085"
                           y3="6.25078"
                           yFract="0.74061374"
                           z3="8.5717"
                           zFract="0.38576508"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19767"
                           xFract="0.49735427"
                           y3="6.30159"
                           yFract="0.74663389"
                           z3="6.36051"
                           zFract="0.28625158"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35535"
                           xFract="0.75300355"
                           y3="4.2479"
                           yFract="0.50330569"
                           z3="6.41446"
                           zFract="0.28867957"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30972"
                           xFract="0.51063033"
                           y3="4.18554"
                           yFract="0.49591706"
                           z3="4.19572"
                           zFract="0.18882628"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.18294"
                           xFract="0.495609"
                           y3="4.24314"
                           yFract="0.50274171"
                           z3="8.7100"
                           zFract="0.3919892"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.24526"
                           xFract="0.73995972"
                           y3="6.17399"
                           yFract="0.7315154"
                           z3="4.2666"
                           zFract="0.1920162"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36814"
                           xFract="0.75451896"
                           y3="6.33905"
                           yFract="0.75107227"
                           z3="8.46647"
                           zFract="0.38102925"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.12">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.08283"
                           xFract="0.24678081"
                           y3="6.34022"
                           yFract="0.7512109"
                           z3="9.50928"
                           zFract="0.4279604"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24839"
                           xFract="0.50336374"
                           y3="6.32181"
                           yFract="0.74902962"
                           z3="4.22609"
                           zFract="0.19019307"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.11849"
                           xFract="-0.0140391"
                           y3="6.30773"
                           yFract="0.74736137"
                           z3="8.40819"
                           zFract="0.37840639"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31438"
                           xFract="0.74814929"
                           y3="4.22322"
                           yFract="0.50038152"
                           z3="4.21503"
                           zFract="0.18969532"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32849"
                           xFract="0.74982109"
                           y3="6.30579"
                           yFract="0.74713152"
                           z3="6.30277"
                           zFract="0.28365302"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29994"
                           xFract="0.74643839"
                           y3="4.2070"
                           yFract="0.49845972"
                           z3="8.50156"
                           zFract="0.38260846"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42084"
                           xFract="0.99772986"
                           y3="2.13268"
                           yFract="0.2526872"
                           z3="4.22382"
                           zFract="0.19009091"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22603"
                           xFract="0.50071445"
                           y3="2.09987"
                           yFract="0.24879976"
                           z3="4.19729"
                           zFract="0.18889694"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.35911"
                           xFract="0.51648223"
                           y3="6.29088"
                           yFract="0.74536493"
                           z3="8.38075"
                           zFract="0.37717147"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3210"
                           xFract="0.74893365"
                           y3="-0.00357"
                           yFract="-0.00042299"
                           z3="8.43165"
                           zFract="0.3794622"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13275"
                           xFract="0.2526955"
                           y3="2.09936"
                           yFract="0.24873934"
                           z3="6.2732"
                           zFract="0.28232223"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12842"
                           xFract="0.25218246"
                           y3="4.1116"
                           yFract="0.4871564"
                           z3="8.39239"
                           zFract="0.37769532"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12565"
                           xFract="0.25185427"
                           y3="6.3418"
                           yFract="0.7513981"
                           z3="6.2206"
                           zFract="0.279955"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.39445"
                           xFract="0.99460308"
                           y3="2.12603"
                           yFract="0.25189929"
                           z3="8.43937"
                           zFract="0.37980963"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39904"
                           xFract="0.99514692"
                           y3="4.24051"
                           yFract="0.50243009"
                           z3="6.34577"
                           zFract="0.28558821"/>
                     <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="2.11641"
                           xFract="0.25075948"
                           y3="-0.00436"
                           yFract="-0.00051659"
                           z3="4.18103"
                           zFract="0.18816517"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2355"
                           xFract="0.50183649"
                           y3="4.21257"
                           yFract="0.49911967"
                           z3="6.38772"
                           zFract="0.28747615"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00704"
                           xFract="0.00083412"
                           y3="6.35946"
                           yFract="0.75349052"
                           z3="4.17997"
                           zFract="0.18811746"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.21835"
                           xFract="0.4998045"
                           y3="8.42929"
                           yFract="0.99873104"
                           z3="6.33514"
                           zFract="0.28510981"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3261"
                           xFract="0.74953791"
                           y3="8.43171"
                           yFract="0.99901777"
                           z3="4.22321"
                           zFract="0.19006346"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2655"
                           xFract="0.505391"
                           y3="2.12464"
                           yFract="0.2517346"
                           z3="8.53274"
                           zFract="0.3840117"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10594"
                           xFract="0.24951896"
                           y3="4.22204"
                           yFract="0.50024171"
                           z3="4.23084"
                           zFract="0.19040684"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00406"
                           xFract="-0.00048104"
                           y3="-0.0059"
                           yFract="-0.00069905"
                           z3="6.33357"
                           zFract="0.28503915"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1466"
                           xFract="0.25433649"
                           y3="0.13716"
                           yFract="0.01625118"
                           z3="8.42962"
                           zFract="0.37937084"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.29974"
                           xFract="0.74641469"
                           y3="2.12188"
                           yFract="0.25140758"
                           z3="6.35503"
                           zFract="0.28600495"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02183"
                           xFract="0.00258649"
                           y3="2.1344"
                           yFract="0.252891"
                           z3="6.36611"
                           zFract="0.2865036"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13414"
                           xFract="0.25286019"
                           y3="-0.0188"
                           yFract="-0.00222749"
                           z3="6.35197"
                           zFract="0.28586724"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37759"
                           xFract="0.99260545"
                           y3="0.09656"
                           yFract="0.01144076"
                           z3="4.24369"
                           zFract="0.19098515"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02365"
                           xFract="0.00280213"
                           y3="8.41402"
                           yFract="0.9969218"
                           z3="8.5313"
                           zFract="0.38394689"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11096"
                           xFract="0.25011374"
                           y3="2.18625"
                           yFract="0.25903436"
                           z3="4.22723"
                           zFract="0.19024437"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08433"
                           xFract="0.24695853"
                           y3="2.13425"
                           yFract="0.25287322"
                           z3="8.49286"
                           zFract="0.38221692"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.1982"
                           xFract="0.49741706"
                           y3="2.1179"
                           yFract="0.25093602"
                           z3="6.32498"
                           zFract="0.28465257"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29535"
                           xFract="0.74589455"
                           y3="8.40776"
                           yFract="0.99618009"
                           z3="6.37313"
                           zFract="0.28681953"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27859"
                           xFract="0.50694194"
                           y3="0.00267"
                           yFract="0.00031635"
                           z3="4.16858"
                           zFract="0.18760486"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19645"
                           xFract="0.49720972"
                           y3="8.37058"
                           yFract="0.99177488"
                           z3="8.71315"
                           zFract="0.39213096"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30809"
                           xFract="0.74740403"
                           y3="2.25601"
                           yFract="0.26729976"
                           z3="4.19997"
                           zFract="0.18901755"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3376"
                           xFract="0.75090047"
                           y3="2.07219"
                           yFract="0.24552014"
                           z3="8.54289"
                           zFract="0.3844685"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02691"
                           xFract="0.00318839"
                           y3="6.31801"
                           yFract="0.74857938"
                           z3="6.28452"
                           zFract="0.28283168"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0508"
                           xFract="0.24298578"
                           y3="4.2406"
                           yFract="0.50244076"
                           z3="6.39559"
                           zFract="0.28783033"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3224"
                           xFract="0.98606635"
                           y3="4.15457"
                           yFract="0.49224763"
                           z3="4.27403"
                           zFract="0.19235059"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03184"
                           xFract="0.00377251"
                           y3="4.22786"
                           yFract="0.50093128"
                           z3="8.4924"
                           zFract="0.38219622"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2134"
                           xFract="0.26225118"
                           y3="6.24815"
                           yFract="0.74030213"
                           z3="4.20777"
                           zFract="0.18936859"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17227"
                           xFract="0.25737796"
                           y3="6.25993"
                           yFract="0.74169787"
                           z3="8.55181"
                           zFract="0.38486994"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.1981"
                           xFract="0.49740521"
                           y3="6.30305"
                           yFract="0.74680687"
                           z3="6.36366"
                           zFract="0.28639334"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35228"
                           xFract="0.75263981"
                           y3="4.24762"
                           yFract="0.50327251"
                           z3="6.41506"
                           zFract="0.28870657"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31505"
                           xFract="0.51126185"
                           y3="4.18868"
                           yFract="0.4962891"
                           z3="4.19742"
                           zFract="0.18890279"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.18089"
                           xFract="0.49536611"
                           y3="4.24715"
                           yFract="0.50321682"
                           z3="8.70186"
                           zFract="0.39162286"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.24667"
                           xFract="0.74012678"
                           y3="6.17345"
                           yFract="0.73145142"
                           z3="4.2659"
                           zFract="0.1919847"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3629"
                           xFract="0.7538981"
                           y3="6.3365"
                           yFract="0.75077014"
                           z3="8.45927"
                           zFract="0.38070522"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.13">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.07648"
                           xFract="0.24602844"
                           y3="6.34647"
                           yFract="0.75195142"
                           z3="9.53498"
                           zFract="0.42911701"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2474"
                           xFract="0.50324645"
                           y3="6.32249"
                           yFract="0.74911019"
                           z3="4.22407"
                           zFract="0.19010216"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.11474"
                           xFract="-0.01359479"
                           y3="6.3064"
                           yFract="0.74720379"
                           z3="8.40419"
                           zFract="0.37822637"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31445"
                           xFract="0.74815758"
                           y3="4.22168"
                           yFract="0.50019905"
                           z3="4.21545"
                           zFract="0.18971422"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33044"
                           xFract="0.75005213"
                           y3="6.30592"
                           yFract="0.74714692"
                           z3="6.30168"
                           zFract="0.28360396"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29643"
                           xFract="0.74602251"
                           y3="4.20577"
                           yFract="0.49831398"
                           z3="8.50401"
                           zFract="0.38271872"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42101"
                           xFract="0.99775"
                           y3="2.13296"
                           yFract="0.25272038"
                           z3="4.22463"
                           zFract="0.19012736"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2271"
                           xFract="0.50084123"
                           y3="2.10212"
                           yFract="0.24906635"
                           z3="4.19322"
                           zFract="0.18871377"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.35522"
                           xFract="0.51602133"
                           y3="6.2896"
                           yFract="0.74521327"
                           z3="8.38399"
                           zFract="0.37731728"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31817"
                           xFract="0.74859834"
                           y3="-0.00248"
                           yFract="-0.00029384"
                           z3="8.43555"
                           zFract="0.37963771"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13251"
                           xFract="0.25266706"
                           y3="2.10008"
                           yFract="0.24882464"
                           z3="6.27155"
                           zFract="0.28224797"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13121"
                           xFract="0.25251303"
                           y3="4.11573"
                           yFract="0.48764573"
                           z3="8.39433"
                           zFract="0.37778263"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12544"
                           xFract="0.25182938"
                           y3="6.34078"
                           yFract="0.75127725"
                           z3="6.22022"
                           zFract="0.27993789"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.39437"
                           xFract="0.9945936"
                           y3="2.12798"
                           yFract="0.25213033"
                           z3="8.44061"
                           zFract="0.37986544"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40134"
                           xFract="0.99541943"
                           y3="4.24029"
                           yFract="0.50240403"
                           z3="6.34907"
                           zFract="0.28573672"/>
                     <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="2.11579"
                           xFract="0.25068602"
                           y3="-0.00585"
                           yFract="-0.00069313"
                           z3="4.18206"
                           zFract="0.18821152"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2359"
                           xFract="0.50188389"
                           y3="4.21264"
                           yFract="0.49912796"
                           z3="6.38853"
                           zFract="0.2875126"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00656"
                           xFract="0.00077725"
                           y3="6.35955"
                           yFract="0.75350118"
                           z3="4.17786"
                           zFract="0.1880225"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.21877"
                           xFract="0.49985427"
                           y3="8.42933"
                           yFract="0.99873578"
                           z3="6.33432"
                           zFract="0.28507291"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32435"
                           xFract="0.74933057"
                           y3="8.43178"
                           yFract="0.99902607"
                           z3="4.2233"
                           zFract="0.19006751"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26738"
                           xFract="0.50561374"
                           y3="2.12634"
                           yFract="0.25193602"
                           z3="8.53214"
                           zFract="0.3839847"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10632"
                           xFract="0.24956398"
                           y3="4.22072"
                           yFract="0.50008531"
                           z3="4.22959"
                           zFract="0.19035059"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00453"
                           xFract="-0.00053673"
                           y3="-0.00581"
                           yFract="-0.00068839"
                           z3="6.33498"
                           zFract="0.28510261"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15042"
                           xFract="0.2547891"
                           y3="0.14065"
                           yFract="0.01666469"
                           z3="8.42702"
                           zFract="0.37925383"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.29957"
                           xFract="0.74639455"
                           y3="2.1224"
                           yFract="0.25146919"
                           z3="6.35044"
                           zFract="0.28579838"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02111"
                           xFract="0.00250118"
                           y3="2.13379"
                           yFract="0.25281872"
                           z3="6.36336"
                           zFract="0.28637984"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13375"
                           xFract="0.25281398"
                           y3="-0.02161"
                           yFract="-0.00256043"
                           z3="6.35252"
                           zFract="0.28589199"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3806"
                           xFract="0.99296209"
                           y3="0.09639"
                           yFract="0.01142062"
                           z3="4.24203"
                           zFract="0.19091044"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02199"
                           xFract="0.00260545"
                           y3="8.41245"
                           yFract="0.99673578"
                           z3="8.53286"
                           zFract="0.3840171"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11347"
                           xFract="0.25041114"
                           y3="2.18219"
                           yFract="0.25855332"
                           z3="4.22447"
                           zFract="0.19012016"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08294"
                           xFract="0.24679384"
                           y3="2.13691"
                           yFract="0.25318839"
                           z3="8.49118"
                           zFract="0.38214131"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19912"
                           xFract="0.49752607"
                           y3="2.11953"
                           yFract="0.25112915"
                           z3="6.32249"
                           zFract="0.2845405"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29617"
                           xFract="0.74599171"
                           y3="8.40748"
                           yFract="0.99614692"
                           z3="6.37385"
                           zFract="0.28685194"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27388"
                           xFract="0.50638389"
                           y3="0.00674"
                           yFract="0.00079858"
                           z3="4.16862"
                           zFract="0.18760666"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19866"
                           xFract="0.49747156"
                           y3="8.37116"
                           yFract="0.9918436"
                           z3="8.71422"
                           zFract="0.39217912"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30816"
                           xFract="0.74741232"
                           y3="2.25288"
                           yFract="0.26692891"
                           z3="4.20083"
                           zFract="0.18905626"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33822"
                           xFract="0.75097393"
                           y3="2.07117"
                           yFract="0.24539929"
                           z3="8.54411"
                           zFract="0.3845234"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02762"
                           xFract="0.00327251"
                           y3="6.31844"
                           yFract="0.74863033"
                           z3="6.28888"
                           zFract="0.2830279"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05154"
                           xFract="0.24307346"
                           y3="4.24251"
                           yFract="0.50266706"
                           z3="6.38903"
                           zFract="0.2875351"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.32466"
                           xFract="0.98633412"
                           y3="4.1566"
                           yFract="0.49248815"
                           z3="4.27525"
                           zFract="0.19240549"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.02632"
                           xFract="0.00311848"
                           y3="4.22804"
                           yFract="0.50095261"
                           z3="8.49287"
                           zFract="0.38221737"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21621"
                           xFract="0.26258412"
                           y3="6.2492"
                           yFract="0.74042654"
                           z3="4.20266"
                           zFract="0.18913861"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17343"
                           xFract="0.2575154"
                           y3="6.24917"
                           yFract="0.74042299"
                           z3="8.55833"
                           zFract="0.38516337"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19745"
                           xFract="0.4973282"
                           y3="6.30102"
                           yFract="0.74656635"
                           z3="6.35962"
                           zFract="0.28621152"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35335"
                           xFract="0.75276659"
                           y3="4.24816"
                           yFract="0.50333649"
                           z3="6.41581"
                           zFract="0.28874032"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31126"
                           xFract="0.5108128"
                           y3="4.18665"
                           yFract="0.49604858"
                           z3="4.19498"
                           zFract="0.18879298"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1892"
                           xFract="0.49635071"
                           y3="4.2421"
                           yFract="0.50261848"
                           z3="8.70702"
                           zFract="0.39185509"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.24564"
                           xFract="0.74000474"
                           y3="6.17428"
                           yFract="0.73154976"
                           z3="4.26508"
                           zFract="0.19194779"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35888"
                           xFract="0.7534218"
                           y3="6.33668"
                           yFract="0.75079147"
                           z3="8.46292"
                           zFract="0.38086949"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.14">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.07522"
                           xFract="0.24587915"
                           y3="6.34771"
                           yFract="0.75209834"
                           z3="9.54008"
                           zFract="0.42934653"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2472"
                           xFract="0.50322275"
                           y3="6.32262"
                           yFract="0.74912559"
                           z3="4.22367"
                           zFract="0.19008416"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.1140"
                           xFract="-0.01350711"
                           y3="6.30614"
                           yFract="0.74717299"
                           z3="8.40339"
                           zFract="0.37819037"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31446"
                           xFract="0.74815877"
                           y3="4.22137"
                           yFract="0.50016232"
                           z3="4.21553"
                           zFract="0.18971782"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33083"
                           xFract="0.75009834"
                           y3="6.30594"
                           yFract="0.74714929"
                           z3="6.30147"
                           zFract="0.28359451"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29573"
                           xFract="0.74593957"
                           y3="4.20552"
                           yFract="0.49828436"
                           z3="8.5045"
                           zFract="0.38274077"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42104"
                           xFract="0.99775355"
                           y3="2.13302"
                           yFract="0.25272749"
                           z3="4.22479"
                           zFract="0.19013456"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22732"
                           xFract="0.5008673"
                           y3="2.10256"
                           yFract="0.24911848"
                           z3="4.19241"
                           zFract="0.18867732"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.35444"
                           xFract="0.51592891"
                           y3="6.28934"
                           yFract="0.74518246"
                           z3="8.38463"
                           zFract="0.37734608"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31761"
                           xFract="0.74853199"
                           y3="-0.00227"
                           yFract="-0.00026896"
                           z3="8.43632"
                           zFract="0.37967237"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13246"
                           xFract="0.25266114"
                           y3="2.10022"
                           yFract="0.24884123"
                           z3="6.27123"
                           zFract="0.28223357"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13176"
                           xFract="0.2525782"
                           y3="4.11655"
                           yFract="0.48774289"
                           z3="8.39471"
                           zFract="0.37779973"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1254"
                           xFract="0.25182464"
                           y3="6.34057"
                           yFract="0.75125237"
                           z3="6.22015"
                           zFract="0.27993474"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.39435"
                           xFract="0.99459123"
                           y3="2.12836"
                           yFract="0.25217536"
                           z3="8.44086"
                           zFract="0.37987669"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40179"
                           xFract="0.99547275"
                           y3="4.24025"
                           yFract="0.50239929"
                           z3="6.34972"
                           zFract="0.28576598"/>
                     <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="2.11567"
                           xFract="0.2506718"
                           y3="-0.00615"
                           yFract="-0.00072867"
                           z3="4.18227"
                           zFract="0.18822097"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23597"
                           xFract="0.50189218"
                           y3="4.21266"
                           yFract="0.49913033"
                           z3="6.38869"
                           zFract="0.2875198"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00647"
                           xFract="0.00076659"
                           y3="6.35957"
                           yFract="0.75350355"
                           z3="4.17744"
                           zFract="0.1880036"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.21885"
                           xFract="0.49986374"
                           y3="8.42934"
                           yFract="0.99873697"
                           z3="6.33416"
                           zFract="0.28506571"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32401"
                           xFract="0.74929028"
                           y3="8.43179"
                           yFract="0.99902725"
                           z3="4.22332"
                           zFract="0.19006841"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26776"
                           xFract="0.50565877"
                           y3="2.12668"
                           yFract="0.2519763"
                           z3="8.53202"
                           zFract="0.3839793"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1064"
                           xFract="0.24957346"
                           y3="4.22046"
                           yFract="0.5000545"
                           z3="4.22934"
                           zFract="0.19033933"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00462"
                           xFract="-0.00054739"
                           y3="-0.00579"
                           yFract="-0.00068602"
                           z3="6.33526"
                           zFract="0.28511521"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15118"
                           xFract="0.25487915"
                           y3="0.14135"
                           yFract="0.01674763"
                           z3="8.4265"
                           zFract="0.37923042"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.29954"
                           xFract="0.746391"
                           y3="2.1225"
                           yFract="0.25148104"
                           z3="6.34953"
                           zFract="0.28575743"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02097"
                           xFract="0.0024846"
                           y3="2.13366"
                           yFract="0.25280332"
                           z3="6.36281"
                           zFract="0.28635509"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13367"
                           xFract="0.2528045"
                           y3="-0.02218"
                           yFract="-0.00262796"
                           z3="6.35263"
                           zFract="0.28589694"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.38119"
                           xFract="0.99303199"
                           y3="0.09635"
                           yFract="0.01141588"
                           z3="4.2417"
                           zFract="0.19089559"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02166"
                           xFract="0.00256635"
                           y3="8.41214"
                           yFract="0.99669905"
                           z3="8.53317"
                           zFract="0.38403105"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11397"
                           xFract="0.25047038"
                           y3="2.18138"
                           yFract="0.25845735"
                           z3="4.22392"
                           zFract="0.19009541"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08266"
                           xFract="0.24676066"
                           y3="2.13744"
                           yFract="0.25325118"
                           z3="8.49085"
                           zFract="0.38212646"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.1993"
                           xFract="0.49754739"
                           y3="2.11985"
                           yFract="0.25116706"
                           z3="6.3220"
                           zFract="0.28451845"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29633"
                           xFract="0.74601066"
                           y3="8.40742"
                           yFract="0.99613981"
                           z3="6.3740"
                           zFract="0.28685869"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27294"
                           xFract="0.50627251"
                           y3="0.00754"
                           yFract="0.00089336"
                           z3="4.16863"
                           zFract="0.18760711"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19909"
                           xFract="0.49752251"
                           y3="8.37127"
                           yFract="0.99185664"
                           z3="8.71443"
                           zFract="0.39218857"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30818"
                           xFract="0.74741469"
                           y3="2.25226"
                           yFract="0.26685545"
                           z3="4.2010"
                           zFract="0.18906391"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33834"
                           xFract="0.75098815"
                           y3="2.07097"
                           yFract="0.24537559"
                           z3="8.54435"
                           zFract="0.3845342"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02777"
                           xFract="0.00329028"
                           y3="6.31853"
                           yFract="0.748641"
                           z3="6.28974"
                           zFract="0.28306661"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05168"
                           xFract="0.24309005"
                           y3="4.24289"
                           yFract="0.50271209"
                           z3="6.38773"
                           zFract="0.2874766"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.32511"
                           xFract="0.98638744"
                           y3="4.1570"
                           yFract="0.49253555"
                           z3="4.27549"
                           zFract="0.19241629"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.02523"
                           xFract="0.00298934"
                           y3="4.22808"
                           yFract="0.50095735"
                           z3="8.49296"
                           zFract="0.38222142"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21677"
                           xFract="0.26265047"
                           y3="6.24941"
                           yFract="0.74045142"
                           z3="4.20164"
                           zFract="0.18909271"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17366"
                           xFract="0.25754265"
                           y3="6.24703"
                           yFract="0.74016943"
                           z3="8.55963"
                           zFract="0.38522187"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19732"
                           xFract="0.4973128"
                           y3="6.30062"
                           yFract="0.74651896"
                           z3="6.35881"
                           zFract="0.28617507"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35356"
                           xFract="0.75279147"
                           y3="4.24826"
                           yFract="0.50334834"
                           z3="6.41596"
                           zFract="0.28874707"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31051"
                           xFract="0.51072393"
                           y3="4.18624"
                           yFract="0.4960"
                           z3="4.19449"
                           zFract="0.18877093"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19085"
                           xFract="0.49654621"
                           y3="4.24109"
                           yFract="0.50249882"
                           z3="8.70804"
                           zFract="0.39190099"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.24544"
                           xFract="0.73998104"
                           y3="6.17445"
                           yFract="0.73156991"
                           z3="4.26492"
                           zFract="0.19194059"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35808"
                           xFract="0.75332701"
                           y3="6.33671"
                           yFract="0.75079502"
                           z3="8.46364"
                           zFract="0.38090189"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a45" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.15">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.07245"
                           xFract="0.24555095"
                           y3="6.35057"
                           yFract="0.7524372"
                           z3="9.54667"
                           zFract="0.42964311"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24633"
                           xFract="0.50311967"
                           y3="6.32296"
                           yFract="0.74916588"
                           z3="4.22252"
                           zFract="0.1900324"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.11151"
                           xFract="-0.01321209"
                           y3="6.30536"
                           yFract="0.74708057"
                           z3="8.40131"
                           zFract="0.37809676"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31462"
                           xFract="0.74817773"
                           y3="4.22063"
                           yFract="0.50007464"
                           z3="4.21574"
                           zFract="0.18972727"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33185"
                           xFract="0.75021919"
                           y3="6.30606"
                           yFract="0.74716351"
                           z3="6.30194"
                           zFract="0.28361566"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29432"
                           xFract="0.74577251"
                           y3="4.20559"
                           yFract="0.49829265"
                           z3="8.50544"
                           zFract="0.38278308"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42113"
                           xFract="0.99776422"
                           y3="2.13299"
                           yFract="0.25272393"
                           z3="4.22537"
                           zFract="0.19016067"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22761"
                           xFract="0.50090166"
                           y3="2.10315"
                           yFract="0.24918839"
                           z3="4.19121"
                           zFract="0.18862331"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.35236"
                           xFract="0.51568246"
                           y3="6.28902"
                           yFract="0.74514455"
                           z3="8.3871"
                           zFract="0.37745725"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31605"
                           xFract="0.74834716"
                           y3="-0.00267"
                           yFract="-0.00031635"
                           z3="8.43862"
                           zFract="0.37977588"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13232"
                           xFract="0.25264455"
                           y3="2.10068"
                           yFract="0.24889573"
                           z3="6.27147"
                           zFract="0.28224437"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13285"
                           xFract="0.25270735"
                           y3="4.11904"
                           yFract="0.48803791"
                           z3="8.39619"
                           zFract="0.37786634"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12524"
                           xFract="0.25180569"
                           y3="6.34009"
                           yFract="0.7511955"
                           z3="6.21924"
                           zFract="0.27989379"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.39534"
                           xFract="0.99470853"
                           y3="2.12938"
                           yFract="0.25229621"
                           z3="8.4415"
                           zFract="0.37990549"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.4028"
                           xFract="0.99559242"
                           y3="4.23982"
                           yFract="0.50234834"
                           z3="6.35164"
                           zFract="0.28585239"/>
                     <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="2.11533"
                           xFract="0.25063152"
                           y3="-0.00704"
                           yFract="-0.00083412"
                           z3="4.18291"
                           zFract="0.18824977"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23639"
                           xFract="0.50194194"
                           y3="4.21244"
                           yFract="0.49910427"
                           z3="6.38895"
                           zFract="0.2875315"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00632"
                           xFract="0.00074882"
                           y3="6.35948"
                           yFract="0.75349289"
                           z3="4.17656"
                           zFract="0.187964"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.21932"
                           xFract="0.49991943"
                           y3="8.42954"
                           yFract="0.99876066"
                           z3="6.33379"
                           zFract="0.28504905"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3231"
                           xFract="0.74918246"
                           y3="8.43188"
                           yFract="0.99903791"
                           z3="4.22349"
                           zFract="0.19007606"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26774"
                           xFract="0.5056564"
                           y3="2.12733"
                           yFract="0.25205332"
                           z3="8.53178"
                           zFract="0.3839685"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10649"
                           xFract="0.24958412"
                           y3="4.2199"
                           yFract="0.49998815"
                           z3="4.22861"
                           zFract="0.19030648"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00502"
                           xFract="-0.00059479"
                           y3="-0.00547"
                           yFract="-0.0006481"
                           z3="6.33651"
                           zFract="0.28517147"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15315"
                           xFract="0.25511256"
                           y3="0.14289"
                           yFract="0.01693009"
                           z3="8.4261"
                           zFract="0.37921242"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.29954"
                           xFract="0.746391"
                           y3="2.12269"
                           yFract="0.25150355"
                           z3="6.34705"
                           zFract="0.28564581"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02037"
                           xFract="0.00241351"
                           y3="2.13325"
                           yFract="0.25275474"
                           z3="6.36102"
                           zFract="0.28627453"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13356"
                           xFract="0.25279147"
                           y3="-0.02397"
                           yFract="-0.00284005"
                           z3="6.35228"
                           zFract="0.28588119"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.38285"
                           xFract="0.99322867"
                           y3="0.09612"
                           yFract="0.01138863"
                           z3="4.24082"
                           zFract="0.19085599"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02076"
                           xFract="0.00245972"
                           y3="8.41151"
                           yFract="0.99662441"
                           z3="8.5336"
                           zFract="0.38405041"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11529"
                           xFract="0.25062678"
                           y3="2.17918"
                           yFract="0.25819668"
                           z3="4.22161"
                           zFract="0.18999145"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08199"
                           xFract="0.24668128"
                           y3="2.13859"
                           yFract="0.25338744"
                           z3="8.4895"
                           zFract="0.38206571"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19996"
                           xFract="0.49762559"
                           y3="2.12086"
                           yFract="0.25128673"
                           z3="6.32035"
                           zFract="0.28444419"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29655"
                           xFract="0.74603673"
                           y3="8.40728"
                           yFract="0.99612322"
                           z3="6.37405"
                           zFract="0.28686094"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27049"
                           xFract="0.50598223"
                           y3="0.00982"
                           yFract="0.00116351"
                           z3="4.16865"
                           zFract="0.18760801"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20048"
                           xFract="0.4976872"
                           y3="8.37177"
                           yFract="0.99191588"
                           z3="8.71454"
                           zFract="0.39219352"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30841"
                           xFract="0.74744194"
                           y3="2.25062"
                           yFract="0.26666114"
                           z3="4.2010"
                           zFract="0.18906391"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33889"
                           xFract="0.75105332"
                           y3="2.07049"
                           yFract="0.24531872"
                           z3="8.54497"
                           zFract="0.38456211"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02825"
                           xFract="0.00334716"
                           y3="6.31883"
                           yFract="0.74867654"
                           z3="6.29235"
                           zFract="0.28318407"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05239"
                           xFract="0.24317417"
                           y3="4.24419"
                           yFract="0.50286611"
                           z3="6.38478"
                           zFract="0.28734383"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.32624"
                           xFract="0.98652133"
                           y3="4.15822"
                           yFract="0.49268009"
                           z3="4.27612"
                           zFract="0.19244464"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.02199"
                           xFract="0.00260545"
                           y3="4.22827"
                           yFract="0.50097986"
                           z3="8.49282"
                           zFract="0.38221512"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21816"
                           xFract="0.26281517"
                           y3="6.25029"
                           yFract="0.74055569"
                           z3="4.19991"
                           zFract="0.18901485"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17343"
                           xFract="0.2575154"
                           y3="6.24194"
                           yFract="0.73956635"
                           z3="8.57073"
                           zFract="0.38572142"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.1969"
                           xFract="0.49726303"
                           y3="6.29942"
                           yFract="0.74637678"
                           z3="6.35694"
                           zFract="0.28609091"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35391"
                           xFract="0.75283294"
                           y3="4.24859"
                           yFract="0.50338744"
                           z3="6.41653"
                           zFract="0.28877273"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30875"
                           xFract="0.5105154"
                           y3="4.18529"
                           yFract="0.49588744"
                           z3="4.19308"
                           zFract="0.18870747"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19579"
                           xFract="0.49713152"
                           y3="4.23826"
                           yFract="0.50216351"
                           z3="8.71057"
                           zFract="0.39201485"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.24487"
                           xFract="0.73991351"
                           y3="6.17495"
                           yFract="0.73162915"
                           z3="4.2643"
                           zFract="0.19191269"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3552"
                           xFract="0.75298578"
                           y3="6.33658"
                           yFract="0.75077962"
                           z3="8.46518"
                           zFract="0.3809712"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.06412"
                           xFract="0.24456398"
                           y3="6.35917"
                           yFract="0.75345616"
                           z3="9.56646"
                           zFract="0.43053375"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24373"
                           xFract="0.50281161"
                           y3="6.32396"
                           yFract="0.74928436"
                           z3="4.21907"
                           zFract="0.18987714"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10403"
                           xFract="-0.01232583"
                           y3="6.30302"
                           yFract="0.74680332"
                           z3="8.39509"
                           zFract="0.37781683"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31509"
                           xFract="0.74823341"
                           y3="4.2184"
                           yFract="0.49981043"
                           z3="4.21636"
                           zFract="0.18975518"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33491"
                           xFract="0.75058175"
                           y3="6.3064"
                           yFract="0.74720379"
                           z3="6.30336"
                           zFract="0.28367957"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29007"
                           xFract="0.74526896"
                           y3="4.20578"
                           yFract="0.49831517"
                           z3="8.50826"
                           zFract="0.38290999"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42139"
                           xFract="0.99779502"
                           y3="2.13291"
                           yFract="0.25271445"
                           z3="4.22708"
                           zFract="0.19023762"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22848"
                           xFract="0.50100474"
                           y3="2.10491"
                           yFract="0.24939692"
                           z3="4.18759"
                           zFract="0.1884604"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.34612"
                           xFract="0.51494313"
                           y3="6.28806"
                           yFract="0.74503081"
                           z3="8.3945"
                           zFract="0.37779028"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31137"
                           xFract="0.74779265"
                           y3="-0.00387"
                           yFract="-0.00045853"
                           z3="8.4455"
                           zFract="0.38008551"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1319"
                           xFract="0.25259479"
                           y3="2.10207"
                           yFract="0.24906043"
                           z3="6.27219"
                           zFract="0.28227678"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13611"
                           xFract="0.2530936"
                           y3="4.12649"
                           yFract="0.48892062"
                           z3="8.40063"
                           zFract="0.37806616"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12475"
                           xFract="0.25174763"
                           y3="6.33863"
                           yFract="0.75102251"
                           z3="6.21651"
                           zFract="0.27977093"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.39829"
                           xFract="0.99505806"
                           y3="2.13244"
                           yFract="0.25265877"
                           z3="8.44345"
                           zFract="0.37999325"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.4058"
                           xFract="0.99594787"
                           y3="4.23856"
                           yFract="0.50219905"
                           z3="6.3574"
                           zFract="0.28611161"/>
                     <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="2.11432"
                           xFract="0.25051185"
                           y3="-0.00971"
                           yFract="-0.00115047"
                           z3="4.18482"
                           zFract="0.18833573"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23764"
                           xFract="0.50209005"
                           y3="4.21177"
                           yFract="0.49902488"
                           z3="6.38973"
                           zFract="0.28756661"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00586"
                           xFract="0.00069431"
                           y3="6.35924"
                           yFract="0.75346445"
                           z3="4.17391"
                           zFract="0.18784473"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22072"
                           xFract="0.50008531"
                           y3="8.43014"
                           yFract="0.99883175"
                           z3="6.3327"
                           zFract="0.2850"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32038"
                           xFract="0.74886019"
                           y3="8.43217"
                           yFract="0.99907227"
                           z3="4.22402"
                           zFract="0.19009991"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26769"
                           xFract="0.50565047"
                           y3="2.12928"
                           yFract="0.25228436"
                           z3="8.53108"
                           zFract="0.38393699"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10678"
                           xFract="0.24961848"
                           y3="4.21822"
                           yFract="0.4997891"
                           z3="4.22644"
                           zFract="0.19020882"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.0062"
                           xFract="-0.0007346"
                           y3="-0.00449"
                           yFract="-0.00053199"
                           z3="6.34026"
                           zFract="0.28534023"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15907"
                           xFract="0.25581398"
                           y3="0.14752"
                           yFract="0.01747867"
                           z3="8.42491"
                           zFract="0.37915887"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.29955"
                           xFract="0.74639218"
                           y3="2.12325"
                           yFract="0.25156991"
                           z3="6.33961"
                           zFract="0.28531098"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.01856"
                           xFract="0.00219905"
                           y3="2.13203"
                           yFract="0.25261019"
                           z3="6.35564"
                           zFract="0.2860324"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13321"
                           xFract="0.25275"
                           y3="-0.02937"
                           yFract="-0.00347986"
                           z3="6.35123"
                           zFract="0.28583393"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.38782"
                           xFract="0.99381754"
                           y3="0.09543"
                           yFract="0.01130687"
                           z3="4.23817"
                           zFract="0.19073672"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01804"
                           xFract="0.00213744"
                           y3="8.40963"
                           yFract="0.99640166"
                           z3="8.53492"
                           zFract="0.38410981"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11926"
                           xFract="0.25109716"
                           y3="2.17259"
                           yFract="0.25741588"
                           z3="4.21468"
                           zFract="0.18967957"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07999"
                           xFract="0.24644431"
                           y3="2.14206"
                           yFract="0.25379858"
                           z3="8.48546"
                           zFract="0.38188389"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20194"
                           xFract="0.49786019"
                           y3="2.12387"
                           yFract="0.25164336"
                           z3="6.31541"
                           zFract="0.28422187"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29722"
                           xFract="0.74611611"
                           y3="8.40685"
                           yFract="0.99607227"
                           z3="6.37422"
                           zFract="0.28686859"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26313"
                           xFract="0.50511019"
                           y3="0.01665"
                           yFract="0.00197275"
                           z3="4.16872"
                           zFract="0.18761116"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20464"
                           xFract="0.49818009"
                           y3="8.37329"
                           yFract="0.99209597"
                           z3="8.71488"
                           zFract="0.39220882"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3091"
                           xFract="0.7475237"
                           y3="2.24571"
                           yFract="0.26607938"
                           z3="4.20102"
                           zFract="0.18906481"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34055"
                           xFract="0.75125"
                           y3="2.06904"
                           yFract="0.24514692"
                           z3="8.54682"
                           zFract="0.38464536"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02972"
                           xFract="0.00352133"
                           y3="6.31973"
                           yFract="0.74878318"
                           z3="6.30017"
                           zFract="0.283536"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05453"
                           xFract="0.24342773"
                           y3="4.24809"
                           yFract="0.5033282"
                           z3="6.37592"
                           zFract="0.28694509"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.32963"
                           xFract="0.98692299"
                           y3="4.16187"
                           yFract="0.49311256"
                           z3="4.27802"
                           zFract="0.19253015"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01228"
                           xFract="0.00145498"
                           y3="4.22884"
                           yFract="0.50104739"
                           z3="8.49239"
                           zFract="0.38219577"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22235"
                           xFract="0.26331161"
                           y3="6.25291"
                           yFract="0.74086611"
                           z3="4.19472"
                           zFract="0.18878128"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17277"
                           xFract="0.2574372"
                           y3="6.22667"
                           yFract="0.73775711"
                           z3="8.60402"
                           zFract="0.38721962"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19565"
                           xFract="0.49711493"
                           y3="6.2958"
                           yFract="0.74594787"
                           z3="6.35131"
                           zFract="0.28583753"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35495"
                           xFract="0.75295616"
                           y3="4.24957"
                           yFract="0.50350355"
                           z3="6.41824"
                           zFract="0.28884968"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30346"
                           xFract="0.50988863"
                           y3="4.18243"
                           yFract="0.49554858"
                           z3="4.18884"
                           zFract="0.18851665"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21062"
                           xFract="0.49888863"
                           y3="4.22978"
                           yFract="0.50115877"
                           z3="8.71815"
                           zFract="0.39235599"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.24315"
                           xFract="0.73970972"
                           y3="6.17645"
                           yFract="0.73180687"
                           z3="4.26245"
                           zFract="0.19182943"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34657"
                           xFract="0.75196327"
                           y3="6.33618"
                           yFract="0.75073223"
                           z3="8.4698"
                           zFract="0.38117912"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.17">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.06079"
                           xFract="0.24416943"
                           y3="6.36262"
                           yFract="0.75386493"
                           z3="9.57438"
                           zFract="0.43089019"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24268"
                           xFract="0.5026872"
                           y3="6.32436"
                           yFract="0.74933175"
                           z3="4.21769"
                           zFract="0.18981503"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10103"
                           xFract="-0.01197038"
                           y3="6.30208"
                           yFract="0.74669194"
                           z3="8.39259"
                           zFract="0.37770432"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31528"
                           xFract="0.74825592"
                           y3="4.2175"
                           yFract="0.49970379"
                           z3="4.21661"
                           zFract="0.18976643"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33614"
                           xFract="0.75072749"
                           y3="6.30654"
                           yFract="0.74722038"
                           z3="6.30393"
                           zFract="0.28370522"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.28837"
                           xFract="0.74506754"
                           y3="4.20585"
                           yFract="0.49832346"
                           z3="8.50939"
                           zFract="0.38296085"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4215"
                           xFract="0.99780806"
                           y3="2.13288"
                           yFract="0.2527109"
                           z3="4.22777"
                           zFract="0.19026868"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22883"
                           xFract="0.50104621"
                           y3="2.10561"
                           yFract="0.24947986"
                           z3="4.18614"
                           zFract="0.18839514"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.34362"
                           xFract="0.51464692"
                           y3="6.28768"
                           yFract="0.74498578"
                           z3="8.39747"
                           zFract="0.37792394"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.30949"
                           xFract="0.74756991"
                           y3="-0.00435"
                           yFract="-0.0005154"
                           z3="8.44826"
                           zFract="0.38020972"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13174"
                           xFract="0.25257583"
                           y3="2.10262"
                           yFract="0.24912559"
                           z3="6.27248"
                           zFract="0.28228983"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13741"
                           xFract="0.25324763"
                           y3="4.12947"
                           yFract="0.4892737"
                           z3="8.40241"
                           zFract="0.37814626"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12456"
                           xFract="0.25172512"
                           y3="6.33804"
                           yFract="0.75095261"
                           z3="6.21542"
                           zFract="0.27972187"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.39948"
                           xFract="0.99519905"
                           y3="2.13366"
                           yFract="0.25280332"
                           z3="8.44423"
                           zFract="0.38002835"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.4070"
                           xFract="0.99609005"
                           y3="4.23805"
                           yFract="0.50213863"
                           z3="6.35971"
                           zFract="0.28621557"/>
                     <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="2.11392"
                           xFract="0.25046445"
                           y3="-0.01078"
                           yFract="-0.00127725"
                           z3="4.18559"
                           zFract="0.18837039"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23814"
                           xFract="0.50214929"
                           y3="4.2115"
                           yFract="0.49899289"
                           z3="6.39005"
                           zFract="0.28758101"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00568"
                           xFract="0.00067299"
                           y3="6.35914"
                           yFract="0.75345261"
                           z3="4.17286"
                           zFract="0.18779748"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22128"
                           xFract="0.50015166"
                           y3="8.43038"
                           yFract="0.99886019"
                           z3="6.33226"
                           zFract="0.2849802"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31929"
                           xFract="0.74873104"
                           y3="8.43229"
                           yFract="0.99908649"
                           z3="4.22423"
                           zFract="0.19010936"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26767"
                           xFract="0.5056481"
                           y3="2.13007"
                           yFract="0.25237796"
                           z3="8.5308"
                           zFract="0.38392439"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1069"
                           xFract="0.2496327"
                           y3="4.21755"
                           yFract="0.49970972"
                           z3="4.22557"
                           zFract="0.19016967"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00667"
                           xFract="-0.00079028"
                           y3="-0.0041"
                           yFract="-0.00048578"
                           z3="6.34176"
                           zFract="0.28540774"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16144"
                           xFract="0.25609479"
                           y3="0.14938"
                           yFract="0.01769905"
                           z3="8.42443"
                           zFract="0.37913726"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.29955"
                           xFract="0.74639218"
                           y3="2.12347"
                           yFract="0.25159597"
                           z3="6.33663"
                           zFract="0.28517687"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.01784"
                           xFract="0.00211374"
                           y3="2.13153"
                           yFract="0.25255095"
                           z3="6.35348"
                           zFract="0.28593519"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13307"
                           xFract="0.25273341"
                           y3="-0.03153"
                           yFract="-0.00373578"
                           z3="6.35081"
                           zFract="0.28581503"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.38981"
                           xFract="0.99405332"
                           y3="0.09515"
                           yFract="0.0112737"
                           z3="4.23711"
                           zFract="0.19068902"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01696"
                           xFract="0.00200948"
                           y3="8.40888"
                           yFract="0.9963128"
                           z3="8.53545"
                           zFract="0.38413366"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12085"
                           xFract="0.25128555"
                           y3="2.16995"
                           yFract="0.25710308"
                           z3="4.2119"
                           zFract="0.18955446"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07918"
                           xFract="0.24634834"
                           y3="2.14345"
                           yFract="0.25396327"
                           z3="8.48384"
                           zFract="0.38181098"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20273"
                           xFract="0.49795379"
                           y3="2.12508"
                           yFract="0.25178673"
                           z3="6.31343"
                           zFract="0.28413276"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29749"
                           xFract="0.7461481"
                           y3="8.40668"
                           yFract="0.99605213"
                           z3="6.37429"
                           zFract="0.28687174"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26018"
                           xFract="0.50476066"
                           y3="0.01939"
                           yFract="0.00229739"
                           z3="4.16874"
                           zFract="0.18761206"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2063"
                           xFract="0.49837678"
                           y3="8.3739"
                           yFract="0.99216825"
                           z3="8.71501"
                           zFract="0.39221467"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30938"
                           xFract="0.74755687"
                           y3="2.24375"
                           yFract="0.26584716"
                           z3="4.20102"
                           zFract="0.18906481"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34121"
                           xFract="0.7513282"
                           y3="2.06846"
                           yFract="0.2450782"
                           z3="8.54756"
                           zFract="0.38467867"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0303"
                           xFract="0.00359005"
                           y3="6.3201"
                           yFract="0.74882701"
                           z3="6.30331"
                           zFract="0.28367732"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05538"
                           xFract="0.24352844"
                           y3="4.24965"
                           yFract="0.50351303"
                           z3="6.37237"
                           zFract="0.28678533"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33099"
                           xFract="0.98708412"
                           y3="4.16333"
                           yFract="0.49328555"
                           z3="4.27878"
                           zFract="0.19256436"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00839"
                           xFract="0.00099408"
                           y3="4.22906"
                           yFract="0.50107346"
                           z3="8.49222"
                           zFract="0.38218812"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22403"
                           xFract="0.26351066"
                           y3="6.25395"
                           yFract="0.74098934"
                           z3="4.19264"
                           zFract="0.18868767"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1725"
                           xFract="0.25740521"
                           y3="6.22055"
                           yFract="0.73703199"
                           z3="8.61736"
                           zFract="0.38781998"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19515"
                           xFract="0.49705569"
                           y3="6.29435"
                           yFract="0.74577607"
                           z3="6.34906"
                           zFract="0.28573627"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35536"
                           xFract="0.75300474"
                           y3="4.24996"
                           yFract="0.50354976"
                           z3="6.41893"
                           zFract="0.28888074"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30135"
                           xFract="0.50963863"
                           y3="4.18128"
                           yFract="0.49541232"
                           z3="4.18715"
                           zFract="0.18844059"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21656"
                           xFract="0.49959242"
                           y3="4.22638"
                           yFract="0.50075592"
                           z3="8.72119"
                           zFract="0.3924928"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.24246"
                           xFract="0.73962796"
                           y3="6.17705"
                           yFract="0.73187796"
                           z3="4.26171"
                           zFract="0.19179613"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34311"
                           xFract="0.75155332"
                           y3="6.33602"
                           yFract="0.75071327"
                           z3="8.47165"
                           zFract="0.38126238"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.18">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.05919"
                           xFract="0.24397986"
                           y3="6.36443"
                           yFract="0.75407938"
                           z3="9.5782"
                           zFract="0.43106211"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24282"
                           xFract="0.50270379"
                           y3="6.32424"
                           yFract="0.74931754"
                           z3="4.21737"
                           zFract="0.18980063"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10231"
                           xFract="-0.01212204"
                           y3="6.30199"
                           yFract="0.74668128"
                           z3="8.39333"
                           zFract="0.37773762"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31513"
                           xFract="0.74823815"
                           y3="4.2182"
                           yFract="0.49978673"
                           z3="4.21647"
                           zFract="0.18976013"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33584"
                           xFract="0.75069194"
                           y3="6.30665"
                           yFract="0.74723341"
                           z3="6.30561"
                           zFract="0.28378083"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.28936"
                           xFract="0.74518483"
                           y3="4.20665"
                           yFract="0.49841825"
                           z3="8.50897"
                           zFract="0.38294194"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42194"
                           xFract="0.99786019"
                           y3="2.13266"
                           yFract="0.25268483"
                           z3="4.22735"
                           zFract="0.19024977"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22815"
                           xFract="0.50096564"
                           y3="2.10479"
                           yFract="0.2493827"
                           z3="4.18708"
                           zFract="0.18843744"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.34334"
                           xFract="0.51461374"
                           y3="6.28779"
                           yFract="0.74499882"
                           z3="8.39868"
                           zFract="0.3779784"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.30951"
                           xFract="0.74757227"
                           y3="-0.0059"
                           yFract="-0.00069905"
                           z3="8.44882"
                           zFract="0.38023492"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1321"
                           xFract="0.25261848"
                           y3="2.1027"
                           yFract="0.24913507"
                           z3="6.2729"
                           zFract="0.28230873"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13738"
                           xFract="0.25324408"
                           y3="4.12945"
                           yFract="0.48927133"
                           z3="8.40329"
                           zFract="0.37818587"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12462"
                           xFract="0.25173223"
                           y3="6.33831"
                           yFract="0.7509846"
                           z3="6.21239"
                           zFract="0.27958551"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.39995"
                           xFract="0.99525474"
                           y3="2.13345"
                           yFract="0.25277844"
                           z3="8.44404"
                           zFract="0.3800198"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40611"
                           xFract="0.9959846"
                           y3="4.23766"
                           yFract="0.50209242"
                           z3="6.35958"
                           zFract="0.28620972"/>
                     <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="2.11354"
                           xFract="0.25041943"
                           y3="-0.01117"
                           yFract="-0.00132346"
                           z3="4.18565"
                           zFract="0.18837309"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23909"
                           xFract="0.50226185"
                           y3="4.21132"
                           yFract="0.49897156"
                           z3="6.38938"
                           zFract="0.28755086"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00555"
                           xFract="0.00065758"
                           y3="6.35893"
                           yFract="0.75342773"
                           z3="4.17341"
                           zFract="0.18782223"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22205"
                           xFract="0.50024289"
                           y3="8.43044"
                           yFract="0.9988673"
                           z3="6.33194"
                           zFract="0.2849658"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31922"
                           xFract="0.74872275"
                           y3="8.43212"
                           yFract="0.99906635"
                           z3="4.22442"
                           zFract="0.19011791"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26738"
                           xFract="0.50561374"
                           y3="2.12983"
                           yFract="0.25234953"
                           z3="8.5306"
                           zFract="0.38391539"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10675"
                           xFract="0.24961493"
                           y3="4.2174"
                           yFract="0.49969194"
                           z3="4.22461"
                           zFract="0.19012646"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00736"
                           xFract="-0.00087204"
                           y3="-0.00362"
                           yFract="-0.00042891"
                           z3="6.34274"
                           zFract="0.28545185"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16167"
                           xFract="0.25612204"
                           y3="0.14919"
                           yFract="0.01767654"
                           z3="8.42538"
                           zFract="0.37918002"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.29976"
                           xFract="0.74641706"
                           y3="2.12322"
                           yFract="0.25156635"
                           z3="6.33656"
                           zFract="0.28517372"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.01818"
                           xFract="0.00215403"
                           y3="2.13152"
                           yFract="0.25254976"
                           z3="6.35326"
                           zFract="0.28592529"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13329"
                           xFract="0.25275948"
                           y3="-0.0321"
                           yFract="-0.00380332"
                           z3="6.35141"
                           zFract="0.28584203"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.39044"
                           xFract="0.99412796"
                           y3="0.09438"
                           yFract="0.01118246"
                           z3="4.23749"
                           zFract="0.19070612"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01822"
                           xFract="0.00215877"
                           y3="8.40895"
                           yFract="0.99632109"
                           z3="8.53499"
                           zFract="0.38411296"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12099"
                           xFract="0.25130213"
                           y3="2.16946"
                           yFract="0.25704502"
                           z3="4.21112"
                           zFract="0.18951935"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07894"
                           xFract="0.24631991"
                           y3="2.14459"
                           yFract="0.25409834"
                           z3="8.48235"
                           zFract="0.38174392"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20247"
                           xFract="0.49792299"
                           y3="2.12565"
                           yFract="0.25185427"
                           z3="6.31288"
                           zFract="0.28410801"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29719"
                           xFract="0.74611256"
                           y3="8.40652"
                           yFract="0.99603318"
                           z3="6.37412"
                           zFract="0.28686409"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.25954"
                           xFract="0.50468483"
                           y3="0.02007"
                           yFract="0.00237796"
                           z3="4.16858"
                           zFract="0.18760486"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20532"
                           xFract="0.49826066"
                           y3="8.37438"
                           yFract="0.99222512"
                           z3="8.71456"
                           zFract="0.39219442"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30997"
                           xFract="0.74762678"
                           y3="2.2431"
                           yFract="0.26577014"
                           z3="4.20006"
                           zFract="0.1890216"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34185"
                           xFract="0.75140403"
                           y3="2.06816"
                           yFract="0.24504265"
                           z3="8.54746"
                           zFract="0.38467417"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03106"
                           xFract="0.00368009"
                           y3="6.32007"
                           yFract="0.74882346"
                           z3="6.3043"
                           zFract="0.28372187"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05591"
                           xFract="0.24359123"
                           y3="4.25034"
                           yFract="0.50359479"
                           z3="6.37536"
                           zFract="0.28691989"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33151"
                           xFract="0.98714573"
                           y3="4.1638"
                           yFract="0.49334123"
                           z3="4.2793"
                           zFract="0.19258776"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00851"
                           xFract="0.00100829"
                           y3="4.2290"
                           yFract="0.50106635"
                           z3="8.49146"
                           zFract="0.38215392"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22368"
                           xFract="0.26346919"
                           y3="6.25471"
                           yFract="0.74107938"
                           z3="4.19385"
                           zFract="0.18874212"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1730"
                           xFract="0.25746445"
                           y3="6.21897"
                           yFract="0.73684479"
                           z3="8.62318"
                           zFract="0.38808191"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19453"
                           xFract="0.49698223"
                           y3="6.29356"
                           yFract="0.74568246"
                           z3="6.35109"
                           zFract="0.28582763"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35519"
                           xFract="0.7529846"
                           y3="4.25013"
                           yFract="0.50356991"
                           z3="6.41926"
                           zFract="0.28889559"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30137"
                           xFract="0.509641"
                           y3="4.18119"
                           yFract="0.49540166"
                           z3="4.18643"
                           zFract="0.18840819"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2169"
                           xFract="0.4996327"
                           y3="4.22568"
                           yFract="0.50067299"
                           z3="8.72196"
                           zFract="0.39252745"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2419"
                           xFract="0.73956161"
                           y3="6.17743"
                           yFract="0.73192299"
                           z3="4.26149"
                           zFract="0.19178623"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3433"
                           xFract="0.75157583"
                           y3="6.33594"
                           yFract="0.75070379"
                           z3="8.47149"
                           zFract="0.38125518"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.19">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.05439"
                           xFract="0.24341114"
                           y3="6.36986"
                           yFract="0.75472275"
                           z3="9.58965"
                           zFract="0.43157741"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24322"
                           xFract="0.50275118"
                           y3="6.32387"
                           yFract="0.7492737"
                           z3="4.21642"
                           zFract="0.18975788"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10615"
                           xFract="-0.01257701"
                           y3="6.30172"
                           yFract="0.74664929"
                           z3="8.39554"
                           zFract="0.37783708"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31469"
                           xFract="0.74818602"
                           y3="4.22031"
                           yFract="0.50003673"
                           z3="4.21605"
                           zFract="0.18974122"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33495"
                           xFract="0.75058649"
                           y3="6.30699"
                           yFract="0.7472737"
                           z3="6.31067"
                           zFract="0.28400855"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.2923"
                           xFract="0.74553318"
                           y3="4.20905"
                           yFract="0.49870261"
                           z3="8.50772"
                           zFract="0.38288569"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42327"
                           xFract="0.99801777"
                           y3="2.13199"
                           yFract="0.25260545"
                           z3="4.22611"
                           zFract="0.19019397"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22612"
                           xFract="0.50072512"
                           y3="2.10234"
                           yFract="0.24909242"
                           z3="4.18993"
                           zFract="0.18856571"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.3425"
                           xFract="0.51451422"
                           y3="6.28812"
                           yFract="0.74503791"
                           z3="8.40231"
                           zFract="0.37814176"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.30956"
                           xFract="0.7475782"
                           y3="-0.01055"
                           yFract="-0.00125"
                           z3="8.45049"
                           zFract="0.38031008"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13319"
                           xFract="0.25274763"
                           y3="2.10293"
                           yFract="0.24916232"
                           z3="6.27419"
                           zFract="0.28236679"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13727"
                           xFract="0.25323104"
                           y3="4.12939"
                           yFract="0.48926422"
                           z3="8.40591"
                           zFract="0.37830378"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1248"
                           xFract="0.25175355"
                           y3="6.33913"
                           yFract="0.75108175"
                           z3="6.20329"
                           zFract="0.27917597"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40136"
                           xFract="0.9954218"
                           y3="2.13282"
                           yFract="0.25270379"
                           z3="8.44349"
                           zFract="0.37999505"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40345"
                           xFract="0.99566943"
                           y3="4.23651"
                           yFract="0.50195616"
                           z3="6.35918"
                           zFract="0.28619172"/>
                     <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="2.11241"
                           xFract="0.25028555"
                           y3="-0.01234"
                           yFract="-0.00146209"
                           z3="4.18583"
                           zFract="0.18838119"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.24195"
                           xFract="0.50260071"
                           y3="4.21077"
                           yFract="0.4989064"
                           z3="6.38738"
                           zFract="0.28746085"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00518"
                           xFract="0.00061374"
                           y3="6.3583"
                           yFract="0.75335308"
                           z3="4.17506"
                           zFract="0.18789649"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22437"
                           xFract="0.50051777"
                           y3="8.43062"
                           yFract="0.99888863"
                           z3="6.33099"
                           zFract="0.28492304"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31899"
                           xFract="0.7486955"
                           y3="8.4316"
                           yFract="0.99900474"
                           z3="4.2250"
                           zFract="0.19014401"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26652"
                           xFract="0.50551185"
                           y3="2.12913"
                           yFract="0.25226659"
                           z3="8.52998"
                           zFract="0.38388749"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10631"
                           xFract="0.2495628"
                           y3="4.21696"
                           yFract="0.49963981"
                           z3="4.22172"
                           zFract="0.1899964"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00943"
                           xFract="-0.0011173"
                           y3="-0.00219"
                           yFract="-0.00025948"
                           z3="6.34566"
                           zFract="0.28558326"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16238"
                           xFract="0.25620616"
                           y3="0.14861"
                           yFract="0.01760782"
                           z3="8.42825"
                           zFract="0.37930918"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30038"
                           xFract="0.74649052"
                           y3="2.12247"
                           yFract="0.25147749"
                           z3="6.33638"
                           zFract="0.28516562"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.01918"
                           xFract="0.00227251"
                           y3="2.13146"
                           yFract="0.25254265"
                           z3="6.35259"
                           zFract="0.28589514"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13398"
                           xFract="0.25284123"
                           y3="-0.03381"
                           yFract="-0.00400592"
                           z3="6.35323"
                           zFract="0.28592394"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.39234"
                           xFract="0.99435308"
                           y3="0.09206"
                           yFract="0.01090758"
                           z3="4.23863"
                           zFract="0.19075743"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02203"
                           xFract="0.00261019"
                           y3="8.40915"
                           yFract="0.99634479"
                           z3="8.53364"
                           zFract="0.38405221"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12139"
                           xFract="0.25134953"
                           y3="2.16798"
                           yFract="0.25686967"
                           z3="4.20879"
                           zFract="0.18941449"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07819"
                           xFract="0.24623104"
                           y3="2.14801"
                           yFract="0.25450355"
                           z3="8.47788"
                           zFract="0.38154275"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2017"
                           xFract="0.49783175"
                           y3="2.12737"
                           yFract="0.25205806"
                           z3="6.31123"
                           zFract="0.28403375"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29628"
                           xFract="0.74600474"
                           y3="8.40606"
                           yFract="0.99597867"
                           z3="6.3736"
                           zFract="0.28684068"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.25764"
                           xFract="0.50445972"
                           y3="0.02211"
                           yFract="0.00261967"
                           z3="4.16809"
                           zFract="0.18758281"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20238"
                           xFract="0.49791232"
                           y3="8.37581"
                           yFract="0.99239455"
                           z3="8.7132"
                           zFract="0.39213321"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31173"
                           xFract="0.74783531"
                           y3="2.24117"
                           yFract="0.26554147"
                           z3="4.19715"
                           zFract="0.18889064"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34374"
                           xFract="0.75162796"
                           y3="2.06723"
                           yFract="0.24493246"
                           z3="8.54716"
                           zFract="0.38466067"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03334"
                           xFract="0.00395024"
                           y3="6.31999"
                           yFract="0.74881398"
                           z3="6.30726"
                           zFract="0.28385509"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05749"
                           xFract="0.24377844"
                           y3="4.2524"
                           yFract="0.50383886"
                           z3="6.38432"
                           zFract="0.28732313"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33306"
                           xFract="0.98732938"
                           y3="4.16523"
                           yFract="0.49351066"
                           z3="4.28087"
                           zFract="0.19265842"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00888"
                           xFract="0.00105213"
                           y3="4.22882"
                           yFract="0.50104502"
                           z3="8.48915"
                           zFract="0.38204995"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22262"
                           xFract="0.2633436"
                           y3="6.25696"
                           yFract="0.74134597"
                           z3="4.1975"
                           zFract="0.18890639"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17451"
                           xFract="0.25764336"
                           y3="6.21421"
                           yFract="0.73628081"
                           z3="8.64062"
                           zFract="0.38886679"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19268"
                           xFract="0.49676303"
                           y3="6.2912"
                           yFract="0.74540284"
                           z3="6.35718"
                           zFract="0.28610171"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35469"
                           xFract="0.75292536"
                           y3="4.25064"
                           yFract="0.50363033"
                           z3="6.42024"
                           zFract="0.28893969"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30143"
                           xFract="0.5096481"
                           y3="4.18092"
                           yFract="0.49536967"
                           z3="4.18429"
                           zFract="0.18831188"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21792"
                           xFract="0.49975355"
                           y3="4.22359"
                           yFract="0.50042536"
                           z3="8.72427"
                           zFract="0.39263141"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.24023"
                           xFract="0.73936374"
                           y3="6.17858"
                           yFract="0.73205924"
                           z3="4.26084"
                           zFract="0.19175698"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34389"
                           xFract="0.75164573"
                           y3="6.33572"
                           yFract="0.75067773"
                           z3="8.47098"
                           zFract="0.38123222"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.20">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.0448"
                           xFract="0.24227488"
                           y3="6.38072"
                           yFract="0.75600948"
                           z3="9.61255"
                           zFract="0.43260801"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24401"
                           xFract="0.50284479"
                           y3="6.32314"
                           yFract="0.7491872"
                           z3="4.21453"
                           zFract="0.18967282"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.11383"
                           xFract="-0.01348697"
                           y3="6.30117"
                           yFract="0.74658412"
                           z3="8.39997"
                           zFract="0.37803645"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31381"
                           xFract="0.74808175"
                           y3="4.22451"
                           yFract="0.50053436"
                           z3="4.2152"
                           zFract="0.18970297"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33317"
                           xFract="0.75037559"
                           y3="6.30767"
                           yFract="0.74735427"
                           z3="6.32079"
                           zFract="0.284464"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29819"
                           xFract="0.74623104"
                           y3="4.21386"
                           yFract="0.49927251"
                           z3="8.50523"
                           zFract="0.38277363"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42592"
                           xFract="0.99833175"
                           y3="2.13066"
                           yFract="0.25244787"
                           z3="4.22363"
                           zFract="0.19008236"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22207"
                           xFract="0.50024526"
                           y3="2.09744"
                           yFract="0.24851185"
                           z3="4.19561"
                           zFract="0.18882133"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.34082"
                           xFract="0.51431517"
                           y3="6.28877"
                           yFract="0.74511493"
                           z3="8.40956"
                           zFract="0.37846805"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.30966"
                           xFract="0.74759005"
                           y3="-0.01986"
                           yFract="-0.00235308"
                           z3="8.45384"
                           zFract="0.38046085"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13537"
                           xFract="0.25300592"
                           y3="2.10338"
                           yFract="0.24921564"
                           z3="6.27677"
                           zFract="0.2824829"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13704"
                           xFract="0.25320379"
                           y3="4.12926"
                           yFract="0.48924882"
                           z3="8.41117"
                           zFract="0.3785405"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12517"
                           xFract="0.25179739"
                           y3="6.34076"
                           yFract="0.75127488"
                           z3="6.1851"
                           zFract="0.27835734"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40419"
                           xFract="0.99575711"
                           y3="2.13156"
                           yFract="0.2525545"
                           z3="8.44239"
                           zFract="0.37994554"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39812"
                           xFract="0.99503791"
                           y3="4.23419"
                           yFract="0.50168128"
                           z3="6.35839"
                           zFract="0.28615617"/>
                     <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="2.11014"
                           xFract="0.25001659"
                           y3="-0.01468"
                           yFract="-0.00173934"
                           z3="4.1862"
                           zFract="0.18839784"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.24766"
                           xFract="0.50327725"
                           y3="4.20968"
                           yFract="0.49877725"
                           z3="6.38338"
                           zFract="0.28728083"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00442"
                           xFract="0.0005237"
                           y3="6.35703"
                           yFract="0.75320261"
                           z3="4.17838"
                           zFract="0.1880459"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22901"
                           xFract="0.50106754"
                           y3="8.43098"
                           yFract="0.99893128"
                           z3="6.32908"
                           zFract="0.28483708"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31854"
                           xFract="0.74864218"
                           y3="8.43058"
                           yFract="0.99888389"
                           z3="4.22615"
                           zFract="0.19019577"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26481"
                           xFract="0.50530924"
                           y3="2.12772"
                           yFract="0.25209953"
                           z3="8.52876"
                           zFract="0.38383258"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10542"
                           xFract="0.24945735"
                           y3="4.21608"
                           yFract="0.49953555"
                           z3="4.21594"
                           zFract="0.18973627"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.01357"
                           xFract="-0.00160782"
                           y3="0.00069"
                           yFract="0.00008175"
                           z3="6.35152"
                           zFract="0.28584698"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16378"
                           xFract="0.25637204"
                           y3="0.14747"
                           yFract="0.01747275"
                           z3="8.43399"
                           zFract="0.37956751"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30163"
                           xFract="0.74663863"
                           y3="2.12096"
                           yFract="0.25129858"
                           z3="6.33601"
                           zFract="0.28514896"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02118"
                           xFract="0.00250948"
                           y3="2.13136"
                           yFract="0.25253081"
                           z3="6.35125"
                           zFract="0.28583483"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13534"
                           xFract="0.25300237"
                           y3="-0.03723"
                           yFract="-0.00441114"
                           z3="6.35685"
                           zFract="0.28608686"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.39613"
                           xFract="0.99480213"
                           y3="0.08742"
                           yFract="0.01035782"
                           z3="4.24092"
                           zFract="0.19086049"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02964"
                           xFract="0.00351185"
                           y3="8.40955"
                           yFract="0.99639218"
                           z3="8.53093"
                           zFract="0.38393024"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1222"
                           xFract="0.2514455"
                           y3="2.16503"
                           yFract="0.25652014"
                           z3="4.20413"
                           zFract="0.18920477"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07671"
                           xFract="0.24605569"
                           y3="2.15485"
                           yFract="0.25531398"
                           z3="8.46896"
                           zFract="0.38114131"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20016"
                           xFract="0.49764929"
                           y3="2.1308"
                           yFract="0.25246445"
                           z3="6.30792"
                           zFract="0.28388479"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29448"
                           xFract="0.74579147"
                           y3="8.40513"
                           yFract="0.99586848"
                           z3="6.37256"
                           zFract="0.28679388"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.25383"
                           xFract="0.50400829"
                           y3="0.02618"
                           yFract="0.0031019"
                           z3="4.1671"
                           zFract="0.18753825"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19649"
                           xFract="0.49721445"
                           y3="8.37869"
                           yFract="0.99273578"
                           z3="8.71047"
                           zFract="0.39201035"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31526"
                           xFract="0.74825355"
                           y3="2.23729"
                           yFract="0.26508175"
                           z3="4.19135"
                           zFract="0.18862961"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34754"
                           xFract="0.7520782"
                           y3="2.06537"
                           yFract="0.24471209"
                           z3="8.54655"
                           zFract="0.38463321"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03789"
                           xFract="0.00448934"
                           y3="6.31983"
                           yFract="0.74879502"
                           z3="6.31319"
                           zFract="0.28412196"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06065"
                           xFract="0.24415284"
                           y3="4.25652"
                           yFract="0.50432701"
                           z3="6.40225"
                           zFract="0.28813006"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33616"
                           xFract="0.98769668"
                           y3="4.16807"
                           yFract="0.49384716"
                           z3="4.28399"
                           zFract="0.19279883"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00962"
                           xFract="0.00113981"
                           y3="4.22846"
                           yFract="0.50100237"
                           z3="8.48455"
                           zFract="0.38184293"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22051"
                           xFract="0.2630936"
                           y3="6.26146"
                           yFract="0.74187915"
                           z3="4.20479"
                           zFract="0.18923447"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17753"
                           xFract="0.25800118"
                           y3="6.20469"
                           yFract="0.73515284"
                           z3="8.6755"
                           zFract="0.39043654"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18897"
                           xFract="0.49632346"
                           y3="6.28647"
                           yFract="0.74484242"
                           z3="6.36935"
                           zFract="0.28664941"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35367"
                           xFract="0.7528045"
                           y3="4.25166"
                           yFract="0.50375118"
                           z3="6.42222"
                           zFract="0.2890288"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30155"
                           xFract="0.50966232"
                           y3="4.18036"
                           yFract="0.49530332"
                           z3="4.17999"
                           zFract="0.18811836"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21995"
                           xFract="0.49999408"
                           y3="4.21939"
                           yFract="0.49992773"
                           z3="8.72888"
                           zFract="0.39283888"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23687"
                           xFract="0.73896564"
                           y3="6.18087"
                           yFract="0.73233057"
                           z3="4.25955"
                           zFract="0.19169892"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34505"
                           xFract="0.75178318"
                           y3="6.33527"
                           yFract="0.75062441"
                           z3="8.46997"
                           zFract="0.38118677"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.21">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04807"
                           xFract="0.24266232"
                           y3="6.37702"
                           yFract="0.75557109"
                           z3="9.60474"
                           zFract="0.43225653"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24374"
                           xFract="0.5028128"
                           y3="6.32339"
                           yFract="0.74921682"
                           z3="4.21518"
                           zFract="0.18970207"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.11121"
                           xFract="-0.01317654"
                           y3="6.30136"
                           yFract="0.74660664"
                           z3="8.39846"
                           zFract="0.3779685"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31411"
                           xFract="0.7481173"
                           y3="4.22308"
                           yFract="0.50036493"
                           z3="4.21549"
                           zFract="0.18971602"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33378"
                           xFract="0.75044787"
                           y3="6.30744"
                           yFract="0.74732701"
                           z3="6.31734"
                           zFract="0.28430873"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29618"
                           xFract="0.74599289"
                           y3="4.21222"
                           yFract="0.4990782"
                           z3="8.50608"
                           zFract="0.38281188"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42501"
                           xFract="0.99822393"
                           y3="2.13112"
                           yFract="0.25250237"
                           z3="4.22448"
                           zFract="0.19012061"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22345"
                           xFract="0.50040877"
                           y3="2.09911"
                           yFract="0.24870972"
                           z3="4.19367"
                           zFract="0.18873402"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.34139"
                           xFract="0.5143827"
                           y3="6.28855"
                           yFract="0.74508886"
                           z3="8.40709"
                           zFract="0.37835689"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.30963"
                           xFract="0.74758649"
                           y3="-0.01668"
                           yFract="-0.0019763"
                           z3="8.4527"
                           zFract="0.38040954"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13463"
                           xFract="0.25291825"
                           y3="2.10322"
                           yFract="0.24919668"
                           z3="6.27589"
                           zFract="0.28244329"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13712"
                           xFract="0.25321327"
                           y3="4.1293"
                           yFract="0.48925355"
                           z3="8.40938"
                           zFract="0.37845995"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12504"
                           xFract="0.25178199"
                           y3="6.3402"
                           yFract="0.75120853"
                           z3="6.1913"
                           zFract="0.27863636"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40323"
                           xFract="0.99564336"
                           y3="2.13199"
                           yFract="0.25260545"
                           z3="8.44277"
                           zFract="0.37996265"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39994"
                           xFract="0.99525355"
                           y3="4.23498"
                           yFract="0.50177488"
                           z3="6.35866"
                           zFract="0.28616832"/>
                     <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="2.11092"
                           xFract="0.250109"
                           y3="-0.01388"
                           yFract="-0.00164455"
                           z3="4.18607"
                           zFract="0.18839199"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.24571"
                           xFract="0.50304621"
                           y3="4.21005"
                           yFract="0.49882109"
                           z3="6.38475"
                           zFract="0.28734248"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00468"
                           xFract="0.0005545"
                           y3="6.35746"
                           yFract="0.75325355"
                           z3="4.17725"
                           zFract="0.18799505"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22743"
                           xFract="0.50088033"
                           y3="8.43086"
                           yFract="0.99891706"
                           z3="6.32973"
                           zFract="0.28486634"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3187"
                           xFract="0.74866114"
                           y3="8.43093"
                           yFract="0.99892536"
                           z3="4.22576"
                           zFract="0.19017822"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26539"
                           xFract="0.50537796"
                           y3="2.1282"
                           yFract="0.2521564"
                           z3="8.52918"
                           zFract="0.38385149"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10572"
                           xFract="0.24949289"
                           y3="4.21638"
                           yFract="0.49957109"
                           z3="4.21791"
                           zFract="0.18982493"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.01216"
                           xFract="-0.00144076"
                           y3="-0.00029"
                           yFract="-0.00003436"
                           z3="6.34952"
                           zFract="0.28575698"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1633"
                           xFract="0.25631517"
                           y3="0.14786"
                           yFract="0.01751896"
                           z3="8.43203"
                           zFract="0.3794793"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.3012"
                           xFract="0.74658768"
                           y3="2.12147"
                           yFract="0.251359"
                           z3="6.33614"
                           zFract="0.28515482"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0205"
                           xFract="0.00242891"
                           y3="2.13139"
                           yFract="0.25253436"
                           z3="6.3517"
                           zFract="0.28585509"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13488"
                           xFract="0.25294787"
                           y3="-0.03606"
                           yFract="-0.00427251"
                           z3="6.35561"
                           zFract="0.28603105"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.39483"
                           xFract="0.9946481"
                           y3="0.0890"
                           yFract="0.01054502"
                           z3="4.24014"
                           zFract="0.19082538"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02704"
                           xFract="0.00320379"
                           y3="8.40942"
                           yFract="0.99637678"
                           z3="8.53185"
                           zFract="0.38397165"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12193"
                           xFract="0.25141351"
                           y3="2.16604"
                           yFract="0.25663981"
                           z3="4.20572"
                           zFract="0.18927633"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07721"
                           xFract="0.24611493"
                           y3="2.15252"
                           yFract="0.25503791"
                           z3="8.4720"
                           zFract="0.38127813"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20069"
                           xFract="0.49771209"
                           y3="2.12963"
                           yFract="0.25232583"
                           z3="6.30904"
                           zFract="0.28393519"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29509"
                           xFract="0.74586374"
                           y3="8.40544"
                           yFract="0.99590521"
                           z3="6.37291"
                           zFract="0.28680963"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.25513"
                           xFract="0.50416232"
                           y3="0.02479"
                           yFract="0.0029372"
                           z3="4.16744"
                           zFract="0.18755356"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1985"
                           xFract="0.49745261"
                           y3="8.37771"
                           yFract="0.99261967"
                           z3="8.7114"
                           zFract="0.39205221"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31405"
                           xFract="0.74811019"
                           y3="2.23861"
                           yFract="0.26523815"
                           z3="4.19333"
                           zFract="0.18871872"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34624"
                           xFract="0.75192417"
                           y3="2.06601"
                           yFract="0.24478791"
                           z3="8.54675"
                           zFract="0.38464221"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03633"
                           xFract="0.0043045"
                           y3="6.31988"
                           yFract="0.74880095"
                           z3="6.31117"
                           zFract="0.28403105"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.05957"
                           xFract="0.24402488"
                           y3="4.25512"
                           yFract="0.50416114"
                           z3="6.39613"
                           zFract="0.28785464"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3351"
                           xFract="0.98757109"
                           y3="4.1671"
                           yFract="0.49373223"
                           z3="4.28293"
                           zFract="0.19275113"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00937"
                           xFract="0.00111019"
                           y3="4.22858"
                           yFract="0.50101659"
                           z3="8.48612"
                           zFract="0.38191359"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22123"
                           xFract="0.26317891"
                           y3="6.25992"
                           yFract="0.74169668"
                           z3="4.2023"
                           zFract="0.18912241"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1765"
                           xFract="0.25787915"
                           y3="6.20793"
                           yFract="0.73553673"
                           z3="8.6636"
                           zFract="0.38990099"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19023"
                           xFract="0.49647275"
                           y3="6.28808"
                           yFract="0.74503318"
                           z3="6.3652"
                           zFract="0.28646265"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35401"
                           xFract="0.75284479"
                           y3="4.25131"
                           yFract="0.50370972"
                           z3="6.42154"
                           zFract="0.2889982"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30151"
                           xFract="0.50965758"
                           y3="4.18055"
                           yFract="0.49532583"
                           z3="4.18146"
                           zFract="0.18818452"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21926"
                           xFract="0.49991232"
                           y3="4.22082"
                           yFract="0.50009716"
                           z3="8.72731"
                           zFract="0.39276823"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23802"
                           xFract="0.7391019"
                           y3="6.18009"
                           yFract="0.73223815"
                           z3="4.25999"
                           zFract="0.19171872"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34465"
                           xFract="0.75173578"
                           y3="6.33542"
                           yFract="0.75064218"
                           z3="8.47031"
                           zFract="0.38120207"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.22">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04509"
                           xFract="0.24230924"
                           y3="6.38034"
                           yFract="0.75596445"
                           z3="9.61587"
                           zFract="0.43275743"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24389"
                           xFract="0.50283057"
                           y3="6.32335"
                           yFract="0.74921209"
                           z3="4.21539"
                           zFract="0.18971152"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.11158"
                           xFract="-0.01322038"
                           y3="6.30098"
                           yFract="0.74656161"
                           z3="8.40005"
                           zFract="0.37804005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31411"
                           xFract="0.7481173"
                           y3="4.22332"
                           yFract="0.50039336"
                           z3="4.21499"
                           zFract="0.18969352"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33301"
                           xFract="0.75035664"
                           y3="6.30753"
                           yFract="0.74733768"
                           z3="6.31865"
                           zFract="0.28436769"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29735"
                           xFract="0.74613152"
                           y3="4.21246"
                           yFract="0.49910664"
                           z3="8.50562"
                           zFract="0.38279118"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4256"
                           xFract="0.99829384"
                           y3="2.13072"
                           yFract="0.25245498"
                           z3="4.22386"
                           zFract="0.19009271"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2229"
                           xFract="0.5003436"
                           y3="2.09831"
                           yFract="0.24861493"
                           z3="4.19466"
                           zFract="0.18877858"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.33988"
                           xFract="0.51420379"
                           y3="6.28799"
                           yFract="0.74502251"
                           z3="8.40913"
                           zFract="0.37844869"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.30999"
                           xFract="0.74762915"
                           y3="-0.01772"
                           yFract="-0.00209953"
                           z3="8.45295"
                           zFract="0.38042079"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13496"
                           xFract="0.25295735"
                           y3="2.10354"
                           yFract="0.2492346"
                           z3="6.27664"
                           zFract="0.28247705"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13707"
                           xFract="0.25320735"
                           y3="4.13015"
                           yFract="0.48935427"
                           z3="8.41124"
                           zFract="0.37854365"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12518"
                           xFract="0.25179858"
                           y3="6.34032"
                           yFract="0.75122275"
                           z3="6.18894"
                           zFract="0.27853015"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40375"
                           xFract="0.99570498"
                           y3="2.13161"
                           yFract="0.25256043"
                           z3="8.44222"
                           zFract="0.37993789"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39965"
                           xFract="0.99521919"
                           y3="4.23484"
                           yFract="0.50175829"
                           z3="6.35843"
                           zFract="0.28615797"/>
                     <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="2.11029"
                           xFract="0.25003436"
                           y3="-0.01417"
                           yFract="-0.00167891"
                           z3="4.18622"
                           zFract="0.18839874"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.24634"
                           xFract="0.50312085"
                           y3="4.21006"
                           yFract="0.49882227"
                           z3="6.38407"
                           zFract="0.28731188"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00414"
                           xFract="0.00049052"
                           y3="6.35722"
                           yFract="0.75322512"
                           z3="4.1785"
                           zFract="0.18805131"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22776"
                           xFract="0.50091943"
                           y3="8.43056"
                           yFract="0.99888152"
                           z3="6.32939"
                           zFract="0.28485104"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31887"
                           xFract="0.74868128"
                           y3="8.43059"
                           yFract="0.99888507"
                           z3="4.22585"
                           zFract="0.19018227"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26539"
                           xFract="0.50537796"
                           y3="2.12814"
                           yFract="0.25214929"
                           z3="8.52895"
                           zFract="0.38384113"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10546"
                           xFract="0.24946209"
                           y3="4.21635"
                           yFract="0.49956754"
                           z3="4.21739"
                           zFract="0.18980153"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.01247"
                           xFract="-0.00147749"
                           y3="0.00006"
                           yFract="0.00000711"
                           z3="6.35066"
                           zFract="0.28580828"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16297"
                           xFract="0.25627607"
                           y3="0.14718"
                           yFract="0.01743839"
                           z3="8.43327"
                           zFract="0.3795351"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.3015"
                           xFract="0.74662322"
                           y3="2.12103"
                           yFract="0.25130687"
                           z3="6.33663"
                           zFract="0.28517687"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02091"
                           xFract="0.00247749"
                           y3="2.13138"
                           yFract="0.25253318"
                           z3="6.35128"
                           zFract="0.28583618"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13559"
                           xFract="0.25303199"
                           y3="-0.03616"
                           yFract="-0.00428436"
                           z3="6.35667"
                           zFract="0.28607876"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.39545"
                           xFract="0.99472156"
                           y3="0.08766"
                           yFract="0.01038626"
                           z3="4.24098"
                           zFract="0.19086319"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02877"
                           xFract="0.00340877"
                           y3="8.40948"
                           yFract="0.99638389"
                           z3="8.53147"
                           zFract="0.38395455"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12164"
                           xFract="0.25137915"
                           y3="2.1660"
                           yFract="0.25663507"
                           z3="4.20568"
                           zFract="0.18927453"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07701"
                           xFract="0.24609123"
                           y3="2.15236"
                           yFract="0.25501896"
                           z3="8.47021"
                           zFract="0.38119757"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20073"
                           xFract="0.49771682"
                           y3="2.13036"
                           yFract="0.25241232"
                           z3="6.30845"
                           zFract="0.28390864"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29474"
                           xFract="0.74582227"
                           y3="8.40508"
                           yFract="0.99586256"
                           z3="6.37309"
                           zFract="0.28681773"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2545"
                           xFract="0.50408768"
                           y3="0.02515"
                           yFract="0.00297986"
                           z3="4.16738"
                           zFract="0.18755086"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19743"
                           xFract="0.49732583"
                           y3="8.37841"
                           yFract="0.99270261"
                           z3="8.7109"
                           zFract="0.3920297"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31488"
                           xFract="0.74820853"
                           y3="2.23824"
                           yFract="0.26519431"
                           z3="4.19237"
                           zFract="0.18867552"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34705"
                           xFract="0.75202014"
                           y3="2.06515"
                           yFract="0.24468602"
                           z3="8.54612"
                           zFract="0.38461386"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03669"
                           xFract="0.00434716"
                           y3="6.31991"
                           yFract="0.7488045"
                           z3="6.31226"
                           zFract="0.28408011"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06047"
                           xFract="0.24413152"
                           y3="4.25592"
                           yFract="0.50425592"
                           z3="6.39934"
                           zFract="0.2879991"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33584"
                           xFract="0.98765877"
                           y3="4.16775"
                           yFract="0.49380924"
                           z3="4.28353"
                           zFract="0.19277813"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0093"
                           xFract="0.0011019"
                           y3="4.22848"
                           yFract="0.50100474"
                           z3="8.48525"
                           zFract="0.38187444"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22082"
                           xFract="0.26313033"
                           y3="6.26017"
                           yFract="0.7417263"
                           z3="4.20256"
                           zFract="0.18913411"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17782"
                           xFract="0.25803555"
                           y3="6.2060"
                           yFract="0.73530806"
                           z3="8.66691"
                           zFract="0.39004995"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18984"
                           xFract="0.49642654"
                           y3="6.28714"
                           yFract="0.7449218"
                           z3="6.36846"
                           zFract="0.28660936"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35356"
                           xFract="0.75279147"
                           y3="4.25146"
                           yFract="0.50372749"
                           z3="6.42174"
                           zFract="0.2890072"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30156"
                           xFract="0.50966351"
                           y3="4.18049"
                           yFract="0.49531872"
                           z3="4.18077"
                           zFract="0.18815347"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21995"
                           xFract="0.49999408"
                           y3="4.22003"
                           yFract="0.50000355"
                           z3="8.72807"
                           zFract="0.39280243"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23733"
                           xFract="0.73902014"
                           y3="6.18108"
                           yFract="0.73235545"
                           z3="4.26037"
                           zFract="0.19173582"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34464"
                           xFract="0.7517346"
                           y3="6.33572"
                           yFract="0.75067773"
                           z3="8.47031"
                           zFract="0.38120207"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.23">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04264"
                           xFract="0.24201896"
                           y3="6.38307"
                           yFract="0.75628791"
                           z3="9.62502"
                           zFract="0.43316922"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24401"
                           xFract="0.50284479"
                           y3="6.32332"
                           yFract="0.74920853"
                           z3="4.21557"
                           zFract="0.18971962"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.11188"
                           xFract="-0.01325592"
                           y3="6.30066"
                           yFract="0.7465237"
                           z3="8.40137"
                           zFract="0.37809946"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31411"
                           xFract="0.7481173"
                           y3="4.22351"
                           yFract="0.50041588"
                           z3="4.21458"
                           zFract="0.18967507"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33238"
                           xFract="0.75028199"
                           y3="6.30761"
                           yFract="0.74734716"
                           z3="6.31973"
                           zFract="0.28441629"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29831"
                           xFract="0.74624526"
                           y3="4.21266"
                           yFract="0.49913033"
                           z3="8.50523"
                           zFract="0.38277363"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42608"
                           xFract="0.99835071"
                           y3="2.13039"
                           yFract="0.25241588"
                           z3="4.22334"
                           zFract="0.19006931"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22246"
                           xFract="0.50029147"
                           y3="2.09765"
                           yFract="0.24853673"
                           z3="4.19547"
                           zFract="0.18881503"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.33864"
                           xFract="0.51405687"
                           y3="6.28752"
                           yFract="0.74496682"
                           z3="8.41082"
                           zFract="0.37852475"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31029"
                           xFract="0.74766469"
                           y3="-0.01858"
                           yFract="-0.00220142"
                           z3="8.45315"
                           zFract="0.38042979"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13523"
                           xFract="0.25298934"
                           y3="2.10379"
                           yFract="0.24926422"
                           z3="6.27725"
                           zFract="0.2825045"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13702"
                           xFract="0.25320142"
                           y3="4.13085"
                           yFract="0.4894372"
                           z3="8.41277"
                           zFract="0.37861251"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1253"
                           xFract="0.2518128"
                           y3="6.34043"
                           yFract="0.75123578"
                           z3="6.18699"
                           zFract="0.27844239"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40418"
                           xFract="0.99575592"
                           y3="2.1313"
                           yFract="0.2525237"
                           z3="8.44178"
                           zFract="0.37991809"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39941"
                           xFract="0.99519076"
                           y3="4.23472"
                           yFract="0.50174408"
                           z3="6.35825"
                           zFract="0.28614986"/>
                     <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="2.10978"
                           xFract="0.24997393"
                           y3="-0.0144"
                           yFract="-0.00170616"
                           z3="4.18633"
                           zFract="0.18840369"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.24686"
                           xFract="0.50318246"
                           y3="4.21008"
                           yFract="0.49882464"
                           z3="6.38352"
                           zFract="0.28728713"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0037"
                           xFract="0.00043839"
                           y3="6.35702"
                           yFract="0.75320142"
                           z3="4.17953"
                           zFract="0.18809766"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22802"
                           xFract="0.50095024"
                           y3="8.43031"
                           yFract="0.9988519"
                           z3="6.32912"
                           zFract="0.28483888"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3190"
                           xFract="0.74869668"
                           y3="8.43031"
                           yFract="0.9988519"
                           z3="4.22593"
                           zFract="0.19018587"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26539"
                           xFract="0.50537796"
                           y3="2.12809"
                           yFract="0.25214336"
                           z3="8.52877"
                           zFract="0.38383303"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10524"
                           xFract="0.24943602"
                           y3="4.21633"
                           yFract="0.49956517"
                           z3="4.21695"
                           zFract="0.18978173"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.01273"
                           xFract="-0.00150829"
                           y3="0.00035"
                           yFract="0.00004147"
                           z3="6.3516"
                           zFract="0.28585059"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1627"
                           xFract="0.25624408"
                           y3="0.14663"
                           yFract="0.01737322"
                           z3="8.43428"
                           zFract="0.37958056"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30175"
                           xFract="0.74665284"
                           y3="2.12066"
                           yFract="0.25126303"
                           z3="6.33703"
                           zFract="0.28519487"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02126"
                           xFract="0.00251896"
                           y3="2.13137"
                           yFract="0.25253199"
                           z3="6.35093"
                           zFract="0.28582043"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13617"
                           xFract="0.25310071"
                           y3="-0.03623"
                           yFract="-0.00429265"
                           z3="6.35754"
                           zFract="0.28611791"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.39595"
                           xFract="0.99478081"
                           y3="0.08655"
                           yFract="0.01025474"
                           z3="4.24167"
                           zFract="0.19089424"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0302"
                           xFract="0.0035782"
                           y3="8.40953"
                           yFract="0.99638981"
                           z3="8.53115"
                           zFract="0.38394014"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1214"
                           xFract="0.25135071"
                           y3="2.16596"
                           yFract="0.25663033"
                           z3="4.20565"
                           zFract="0.18927318"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07684"
                           xFract="0.24607109"
                           y3="2.15223"
                           yFract="0.25500355"
                           z3="8.46875"
                           zFract="0.38113186"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20077"
                           xFract="0.49772156"
                           y3="2.13097"
                           yFract="0.2524846"
                           z3="6.30796"
                           zFract="0.28388659"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29444"
                           xFract="0.74578673"
                           y3="8.40478"
                           yFract="0.99582701"
                           z3="6.37324"
                           zFract="0.28682448"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.25398"
                           xFract="0.50402607"
                           y3="0.02543"
                           yFract="0.00301303"
                           z3="4.16734"
                           zFract="0.18754905"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19655"
                           xFract="0.49722156"
                           y3="8.37899"
                           yFract="0.99277133"
                           z3="8.71048"
                           zFract="0.3920108"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31556"
                           xFract="0.7482891"
                           y3="2.23794"
                           yFract="0.26515877"
                           z3="4.19158"
                           zFract="0.18863996"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3477"
                           xFract="0.75209716"
                           y3="2.06444"
                           yFract="0.2446019"
                           z3="8.5456"
                           zFract="0.38459046"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03697"
                           xFract="0.00438033"
                           y3="6.31994"
                           yFract="0.74880806"
                           z3="6.31316"
                           zFract="0.28412061"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0612"
                           xFract="0.24421801"
                           y3="4.25658"
                           yFract="0.50433412"
                           z3="6.40197"
                           zFract="0.28811746"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33645"
                           xFract="0.98773104"
                           y3="4.16828"
                           yFract="0.49387204"
                           z3="4.28403"
                           zFract="0.19280063"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00924"
                           xFract="0.00109479"
                           y3="4.22839"
                           yFract="0.50099408"
                           z3="8.48454"
                           zFract="0.38184248"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22048"
                           xFract="0.26309005"
                           y3="6.26038"
                           yFract="0.74175118"
                           z3="4.20276"
                           zFract="0.18914311"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1789"
                           xFract="0.25816351"
                           y3="6.20441"
                           yFract="0.73511967"
                           z3="8.66964"
                           zFract="0.39017282"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18953"
                           xFract="0.49638981"
                           y3="6.28637"
                           yFract="0.74483057"
                           z3="6.37114"
                           zFract="0.28672997"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35318"
                           xFract="0.75274645"
                           y3="4.25158"
                           yFract="0.50374171"
                           z3="6.42189"
                           zFract="0.28901395"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3016"
                           xFract="0.50966825"
                           y3="4.18044"
                           yFract="0.4953128"
                           z3="4.18021"
                           zFract="0.18812826"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22051"
                           xFract="0.50006043"
                           y3="4.21939"
                           yFract="0.49992773"
                           z3="8.7287"
                           zFract="0.39283078"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23676"
                           xFract="0.73895261"
                           y3="6.18191"
                           yFract="0.73245379"
                           z3="4.26068"
                           zFract="0.19174977"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34463"
                           xFract="0.75173341"
                           y3="6.33597"
                           yFract="0.75070735"
                           z3="8.47031"
                           zFract="0.38120207"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.24">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.03999"
                           xFract="0.24170498"
                           y3="6.38572"
                           yFract="0.7566019"
                           z3="9.63322"
                           zFract="0.43353825"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24406"
                           xFract="0.50285071"
                           y3="6.32339"
                           yFract="0.74921682"
                           z3="4.21631"
                           zFract="0.18975293"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.11102"
                           xFract="-0.01315403"
                           y3="6.30006"
                           yFract="0.74645261"
                           z3="8.40338"
                           zFract="0.37818992"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31429"
                           xFract="0.74813863"
                           y3="4.2232"
                           yFract="0.50037915"
                           z3="4.21386"
                           zFract="0.18964266"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33132"
                           xFract="0.7501564"
                           y3="6.3076"
                           yFract="0.74734597"
                           z3="6.32022"
                           zFract="0.28443834"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29925"
                           xFract="0.74635664"
                           y3="4.21217"
                           yFract="0.49907227"
                           z3="8.50487"
                           zFract="0.38275743"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42661"
                           xFract="0.99841351"
                           y3="2.12992"
                           yFract="0.25236019"
                           z3="4.22274"
                           zFract="0.1900423"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22228"
                           xFract="0.50027014"
                           y3="2.09721"
                           yFract="0.2484846"
                           z3="4.19612"
                           zFract="0.18884428"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.33624"
                           xFract="0.51377251"
                           y3="6.28638"
                           yFract="0.74483175"
                           z3="8.41339"
                           zFract="0.37864041"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31084"
                           xFract="0.74772986"
                           y3="-0.01876"
                           yFract="-0.00222275"
                           z3="8.45299"
                           zFract="0.38042259"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13545"
                           xFract="0.2530154"
                           y3="2.10431"
                           yFract="0.24932583"
                           z3="6.27822"
                           zFract="0.28254815"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13703"
                           xFract="0.25320261"
                           y3="4.13221"
                           yFract="0.48959834"
                           z3="8.4153"
                           zFract="0.37872637"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12549"
                           xFract="0.25183531"
                           y3="6.34035"
                           yFract="0.7512263"
                           z3="6.18624"
                           zFract="0.27840864"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40467"
                           xFract="0.99581398"
                           y3="2.13087"
                           yFract="0.25247275"
                           z3="8.44096"
                           zFract="0.37988119"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.39996"
                           xFract="0.99525592"
                           y3="4.23493"
                           yFract="0.50176896"
                           z3="6.35807"
                           zFract="0.28614176"/>
                     <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="2.10905"
                           xFract="0.24988744"
                           y3="-0.01449"
                           yFract="-0.00171682"
                           z3="4.18658"
                           zFract="0.18841494"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.24687"
                           xFract="0.50318365"
                           y3="4.21032"
                           yFract="0.49885308"
                           z3="6.3831"
                           zFract="0.28726823"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0028"
                           xFract="0.00033175"
                           y3="6.35682"
                           yFract="0.75317773"
                           z3="4.18117"
                           zFract="0.18817147"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2277"
                           xFract="0.50091232"
                           y3="8.42968"
                           yFract="0.99877725"
                           z3="6.32892"
                           zFract="0.28482988"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31937"
                           xFract="0.74874052"
                           y3="8.42989"
                           yFract="0.99880213"
                           z3="4.22591"
                           zFract="0.19018497"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26568"
                           xFract="0.50541232"
                           y3="2.12824"
                           yFract="0.25216114"
                           z3="8.52857"
                           zFract="0.38382403"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10493"
                           xFract="0.24939929"
                           y3="4.21644"
                           yFract="0.4995782"
                           z3="4.2171"
                           zFract="0.18978848"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.01245"
                           xFract="-0.00147512"
                           y3="0.00041"
                           yFract="0.00004858"
                           z3="6.35258"
                           zFract="0.28589469"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.16191"
                           xFract="0.25615047"
                           y3="0.14562"
                           yFract="0.01725355"
                           z3="8.43543"
                           zFract="0.37963231"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30206"
                           xFract="0.74668957"
                           y3="2.12012"
                           yFract="0.25119905"
                           z3="6.33791"
                           zFract="0.28523447"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02163"
                           xFract="0.0025628"
                           y3="2.13139"
                           yFract="0.25253436"
                           z3="6.3503"
                           zFract="0.28579208"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13723"
                           xFract="0.2532263"
                           y3="-0.03583"
                           yFract="-0.00424526"
                           z3="6.35874"
                           zFract="0.28617192"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.39644"
                           xFract="0.99483886"
                           y3="0.08483"
                           yFract="0.01005095"
                           z3="4.24277"
                           zFract="0.19094374"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0319"
                           xFract="0.00377962"
                           y3="8.40948"
                           yFract="0.99638389"
                           z3="8.53102"
                           zFract="0.38393429"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12073"
                           xFract="0.25127133"
                           y3="2.16643"
                           yFract="0.25668602"
                           z3="4.20646"
                           zFract="0.18930963"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07671"
                           xFract="0.24605569"
                           y3="2.15085"
                           yFract="0.25484005"
                           z3="8.46712"
                           zFract="0.38105851"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20122"
                           xFract="0.49777488"
                           y3="2.13176"
                           yFract="0.2525782"
                           z3="6.30741"
                           zFract="0.28386184"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29415"
                           xFract="0.74575237"
                           y3="8.4043"
                           yFract="0.99577014"
                           z3="6.37377"
                           zFract="0.28684833"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.25349"
                           xFract="0.50396801"
                           y3="0.02531"
                           yFract="0.00299882"
                           z3="4.16744"
                           zFract="0.18755356"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19573"
                           xFract="0.49712441"
                           y3="8.3798"
                           yFract="0.9928673"
                           z3="8.71007"
                           zFract="0.39199235"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31646"
                           xFract="0.74839573"
                           y3="2.2379"
                           yFract="0.26515403"
                           z3="4.19093"
                           zFract="0.18861071"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34856"
                           xFract="0.75219905"
                           y3="2.06315"
                           yFract="0.24444905"
                           z3="8.54451"
                           zFract="0.3845414"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03677"
                           xFract="0.00435664"
                           y3="6.32006"
                           yFract="0.74882227"
                           z3="6.31423"
                           zFract="0.28416877"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06229"
                           xFract="0.24434716"
                           y3="4.25732"
                           yFract="0.5044218"
                           z3="6.40436"
                           zFract="0.28822502"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33729"
                           xFract="0.98783057"
                           y3="4.16897"
                           yFract="0.49395379"
                           z3="4.28457"
                           zFract="0.19282493"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00884"
                           xFract="0.00104739"
                           y3="4.22825"
                           yFract="0.50097749"
                           z3="8.48386"
                           zFract="0.38181188"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22018"
                           xFract="0.2630545"
                           y3="6.25997"
                           yFract="0.74170261"
                           z3="4.2018"
                           zFract="0.18909991"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17953"
                           xFract="0.25823815"
                           y3="6.20418"
                           yFract="0.73509242"
                           z3="8.67815"
                           zFract="0.39055581"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18948"
                           xFract="0.49638389"
                           y3="6.28545"
                           yFract="0.74472156"
                           z3="6.37485"
                           zFract="0.28689694"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35251"
                           xFract="0.75266706"
                           y3="4.25166"
                           yFract="0.50375118"
                           z3="6.42186"
                           zFract="0.2890126"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30163"
                           xFract="0.5096718"
                           y3="4.18041"
                           yFract="0.49530924"
                           z3="4.17974"
                           zFract="0.18810711"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22159"
                           xFract="0.50018839"
                           y3="4.21858"
                           yFract="0.49983175"
                           z3="8.72937"
                           zFract="0.39286094"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23605"
                           xFract="0.73886848"
                           y3="6.1833"
                           yFract="0.73261848"
                           z3="4.26167"
                           zFract="0.19179433"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34429"
                           xFract="0.75169313"
                           y3="6.33658"
                           yFract="0.75077962"
                           z3="8.47056"
                           zFract="0.38121332"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a3 a73" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.25">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.03206"
                           xFract="0.2407654"
                           y3="6.39365"
                           yFract="0.75754147"
                           z3="9.65785"
                           zFract="0.43464671"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2442"
                           xFract="0.5028673"
                           y3="6.32359"
                           yFract="0.74924052"
                           z3="4.21851"
                           zFract="0.18985194"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10844"
                           xFract="-0.01284834"
                           y3="6.29823"
                           yFract="0.74623578"
                           z3="8.40941"
                           zFract="0.3784613"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31485"
                           xFract="0.74820498"
                           y3="4.22225"
                           yFract="0.50026659"
                           z3="4.21171"
                           zFract="0.1895459"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32814"
                           xFract="0.74977962"
                           y3="6.30757"
                           yFract="0.74734242"
                           z3="6.32168"
                           zFract="0.28450405"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30207"
                           xFract="0.74669076"
                           y3="4.21069"
                           yFract="0.49889692"
                           z3="8.50379"
                           zFract="0.38270882"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42821"
                           xFract="0.99860308"
                           y3="2.12849"
                           yFract="0.25219076"
                           z3="4.22095"
                           zFract="0.18996175"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22173"
                           xFract="0.50020498"
                           y3="2.0959"
                           yFract="0.24832938"
                           z3="4.19805"
                           zFract="0.18893114"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32904"
                           xFract="0.51291943"
                           y3="6.28295"
                           yFract="0.74442536"
                           z3="8.42109"
                           zFract="0.37898695"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31252"
                           xFract="0.74792891"
                           y3="-0.01932"
                           yFract="-0.0022891"
                           z3="8.45252"
                           zFract="0.38040144"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1361"
                           xFract="0.25309242"
                           y3="2.10586"
                           yFract="0.24950948"
                           z3="6.28113"
                           zFract="0.28267912"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13706"
                           xFract="0.25320616"
                           y3="4.13629"
                           yFract="0.49008175"
                           z3="8.42288"
                           zFract="0.37906751"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12606"
                           xFract="0.25190284"
                           y3="6.34013"
                           yFract="0.75120024"
                           z3="6.18399"
                           zFract="0.27830738"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40617"
                           xFract="0.99599171"
                           y3="2.12959"
                           yFract="0.25232109"
                           z3="8.43851"
                           zFract="0.37977093"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40162"
                           xFract="0.99545261"
                           y3="4.23555"
                           yFract="0.50184242"
                           z3="6.35752"
                           zFract="0.28611701"/>
                     <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="2.10688"
                           xFract="0.24963033"
                           y3="-0.01476"
                           yFract="-0.00174882"
                           z3="4.18733"
                           zFract="0.18844869"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.24689"
                           xFract="0.50318602"
                           y3="4.21105"
                           yFract="0.49893957"
                           z3="6.38184"
                           zFract="0.28721152"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00009"
                           xFract="0.00001066"
                           y3="6.35621"
                           yFract="0.75310545"
                           z3="4.18611"
                           zFract="0.18839379"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22675"
                           xFract="0.50079976"
                           y3="8.42781"
                           yFract="0.99855569"
                           z3="6.32834"
                           zFract="0.28480378"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32049"
                           xFract="0.74887322"
                           y3="8.42863"
                           yFract="0.99865284"
                           z3="4.22583"
                           zFract="0.19018137"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26653"
                           xFract="0.50551303"
                           y3="2.12872"
                           yFract="0.25221801"
                           z3="8.52799"
                           zFract="0.38379793"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1040"
                           xFract="0.2492891"
                           y3="4.21677"
                           yFract="0.4996173"
                           z3="4.21752"
                           zFract="0.18980738"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.01161"
                           xFract="-0.00137559"
                           y3="0.00061"
                           yFract="0.00007227"
                           z3="6.35552"
                           zFract="0.286027"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15954"
                           xFract="0.25586967"
                           y3="0.14259"
                           yFract="0.01689455"
                           z3="8.43887"
                           zFract="0.37978713"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.3030"
                           xFract="0.74680095"
                           y3="2.11853"
                           yFract="0.25101066"
                           z3="6.34055"
                           zFract="0.28535329"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02273"
                           xFract="0.00269313"
                           y3="2.13144"
                           yFract="0.25254028"
                           z3="6.34842"
                           zFract="0.28570747"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14041"
                           xFract="0.25360308"
                           y3="-0.03464"
                           yFract="-0.00410427"
                           z3="6.36232"
                           zFract="0.28633303"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3979"
                           xFract="0.99501185"
                           y3="0.07967"
                           yFract="0.00943957"
                           z3="4.24606"
                           zFract="0.19109181"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03702"
                           xFract="0.00438626"
                           y3="8.40934"
                           yFract="0.9963673"
                           z3="8.53063"
                           zFract="0.38391674"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11871"
                           xFract="0.25103199"
                           y3="2.16783"
                           yFract="0.2568519"
                           z3="4.20888"
                           zFract="0.18941854"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07631"
                           xFract="0.24600829"
                           y3="2.14672"
                           yFract="0.25435071"
                           z3="8.46222"
                           zFract="0.38083798"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20255"
                           xFract="0.49793246"
                           y3="2.13415"
                           yFract="0.25286137"
                           z3="6.30575"
                           zFract="0.28378713"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29326"
                           xFract="0.74564692"
                           y3="8.40283"
                           yFract="0.99559597"
                           z3="6.37534"
                           zFract="0.28691899"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.25199"
                           xFract="0.50379028"
                           y3="0.02494"
                           yFract="0.00295498"
                           z3="4.16775"
                           zFract="0.18756751"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19326"
                           xFract="0.49683175"
                           y3="8.38223"
                           yFract="0.99315521"
                           z3="8.70885"
                           zFract="0.39193744"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31918"
                           xFract="0.74871801"
                           y3="2.23779"
                           yFract="0.265141"
                           z3="4.18897"
                           zFract="0.1885225"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35113"
                           xFract="0.75250355"
                           y3="2.05927"
                           yFract="0.24398934"
                           z3="8.54122"
                           zFract="0.38439334"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03615"
                           xFract="0.00428318"
                           y3="6.3204"
                           yFract="0.74886256"
                           z3="6.31745"
                           zFract="0.28431368"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06555"
                           xFract="0.24473341"
                           y3="4.25954"
                           yFract="0.50468483"
                           z3="6.41153"
                           zFract="0.2885477"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33981"
                           xFract="0.98812915"
                           y3="4.17106"
                           yFract="0.49420142"
                           z3="4.28619"
                           zFract="0.19289784"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00763"
                           xFract="0.00090403"
                           y3="4.22784"
                           yFract="0.50092891"
                           z3="8.4818"
                           zFract="0.38171917"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21928"
                           xFract="0.26294787"
                           y3="6.25875"
                           yFract="0.74155806"
                           z3="4.1989"
                           zFract="0.1889694"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.18141"
                           xFract="0.2584609"
                           y3="6.20349"
                           yFract="0.73501066"
                           z3="8.70371"
                           zFract="0.39170612"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18935"
                           xFract="0.49636848"
                           y3="6.2827"
                           yFract="0.74439573"
                           z3="6.38596"
                           zFract="0.28739694"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35052"
                           xFract="0.75243128"
                           y3="4.25191"
                           yFract="0.50378081"
                           z3="6.42175"
                           zFract="0.28900765"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30171"
                           xFract="0.50968128"
                           y3="4.18031"
                           yFract="0.49529739"
                           z3="4.17833"
                           zFract="0.18804365"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22481"
                           xFract="0.50056991"
                           y3="4.21617"
                           yFract="0.49954621"
                           z3="8.73138"
                           zFract="0.3929514"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2339"
                           xFract="0.73861374"
                           y3="6.18747"
                           yFract="0.73311256"
                           z3="4.26463"
                           zFract="0.19192754"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34327"
                           xFract="0.75157227"
                           y3="6.33842"
                           yFract="0.75099763"
                           z3="8.47131"
                           zFract="0.38124707"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.26">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.0162"
                           xFract="0.23888626"
                           y3="6.40952"
                           yFract="0.7594218"
                           z3="9.70711"
                           zFract="0.43686364"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2445"
                           xFract="0.50290284"
                           y3="6.32398"
                           yFract="0.74928673"
                           z3="4.22291"
                           zFract="0.19004995"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10327"
                           xFract="-0.01223578"
                           y3="6.29457"
                           yFract="0.74580213"
                           z3="8.42148"
                           zFract="0.3790045"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31597"
                           xFract="0.74833768"
                           y3="4.22035"
                           yFract="0.50004147"
                           z3="4.20742"
                           zFract="0.18935284"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32178"
                           xFract="0.74902607"
                           y3="6.30751"
                           yFract="0.74733531"
                           z3="6.32461"
                           zFract="0.28463591"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30771"
                           xFract="0.747359"
                           y3="4.20774"
                           yFract="0.49854739"
                           z3="8.50162"
                           zFract="0.38261116"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4314"
                           xFract="0.99898104"
                           y3="2.12565"
                           yFract="0.25185427"
                           z3="4.21736"
                           zFract="0.18980018"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22065"
                           xFract="0.50007701"
                           y3="2.09328"
                           yFract="0.24801896"
                           z3="4.20191"
                           zFract="0.18910486"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.31464"
                           xFract="0.51121327"
                           y3="6.27609"
                           yFract="0.74361256"
                           z3="8.43651"
                           zFract="0.37968092"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31587"
                           xFract="0.74832583"
                           y3="-0.02043"
                           yFract="-0.00242062"
                           z3="8.45159"
                           zFract="0.38035959"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1374"
                           xFract="0.25324645"
                           y3="2.10895"
                           yFract="0.24987559"
                           z3="6.28695"
                           zFract="0.28294104"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1371"
                           xFract="0.2532109"
                           y3="4.14445"
                           yFract="0.49104858"
                           z3="8.43805"
                           zFract="0.37975023"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12721"
                           xFract="0.2520391"
                           y3="6.33968"
                           yFract="0.75114692"
                           z3="6.17948"
                           zFract="0.27810441"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40917"
                           xFract="0.99634716"
                           y3="2.12703"
                           yFract="0.25201777"
                           z3="8.43362"
                           zFract="0.37955086"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40492"
                           xFract="0.9958436"
                           y3="4.2368"
                           yFract="0.50199052"
                           z3="6.35643"
                           zFract="0.28606796"/>
                     <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="2.10253"
                           xFract="0.24911493"
                           y3="-0.01528"
                           yFract="-0.00181043"
                           z3="4.18883"
                           zFract="0.1885162"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.24694"
                           xFract="0.50319194"
                           y3="4.21251"
                           yFract="0.49911256"
                           z3="6.37932"
                           zFract="0.28709811"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00533"
                           xFract="-0.00063152"
                           y3="6.3550"
                           yFract="0.75296209"
                           z3="4.19597"
                           zFract="0.18883753"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22483"
                           xFract="0.50057227"
                           y3="8.42405"
                           yFract="0.99811019"
                           z3="6.32717"
                           zFract="0.28475113"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32271"
                           xFract="0.74913626"
                           y3="8.42611"
                           yFract="0.99835427"
                           z3="4.22569"
                           zFract="0.19017507"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26824"
                           xFract="0.50571564"
                           y3="2.12966"
                           yFract="0.25232938"
                           z3="8.52681"
                           zFract="0.38374482"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10215"
                           xFract="0.24906991"
                           y3="4.21742"
                           yFract="0.49969431"
                           z3="4.21837"
                           zFract="0.18984563"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00992"
                           xFract="-0.00117536"
                           y3="0.00099"
                           yFract="0.0001173"
                           z3="6.3614"
                           zFract="0.28629163"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1548"
                           xFract="0.25530806"
                           y3="0.13653"
                           yFract="0.01617654"
                           z3="8.44576"
                           zFract="0.38009721"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30486"
                           xFract="0.74702133"
                           y3="2.11533"
                           yFract="0.25063152"
                           z3="6.34584"
                           zFract="0.28559136"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02494"
                           xFract="0.00295498"
                           y3="2.13155"
                           yFract="0.25255332"
                           z3="6.34467"
                           zFract="0.2855387"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14677"
                           xFract="0.25435664"
                           y3="-0.03225"
                           yFract="-0.00382109"
                           z3="6.36948"
                           zFract="0.28665527"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40083"
                           xFract="0.995359"
                           y3="0.06936"
                           yFract="0.00821801"
                           z3="4.25265"
                           zFract="0.19138839"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04724"
                           xFract="0.00559716"
                           y3="8.40906"
                           yFract="0.99633412"
                           z3="8.52984"
                           zFract="0.38388119"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11468"
                           xFract="0.2505545"
                           y3="2.17064"
                           yFract="0.25718483"
                           z3="4.21373"
                           zFract="0.18963681"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07552"
                           xFract="0.24591469"
                           y3="2.13847"
                           yFract="0.25337322"
                           z3="8.45244"
                           zFract="0.38039784"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20521"
                           xFract="0.49824763"
                           y3="2.13892"
                           yFract="0.25342654"
                           z3="6.30243"
                           zFract="0.28363771"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29147"
                           xFract="0.74543483"
                           y3="8.39989"
                           yFract="0.99524763"
                           z3="6.37848"
                           zFract="0.28706031"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24899"
                           xFract="0.50343483"
                           y3="0.0242"
                           yFract="0.0028673"
                           z3="4.16837"
                           zFract="0.18759541"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.18832"
                           xFract="0.49624645"
                           y3="8.38708"
                           yFract="0.99372986"
                           z3="8.70641"
                           zFract="0.39182763"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3246"
                           xFract="0.74936019"
                           y3="2.23756"
                           yFract="0.26511374"
                           z3="4.18504"
                           zFract="0.18834563"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35628"
                           xFract="0.75311374"
                           y3="2.05152"
                           yFract="0.24307109"
                           z3="8.53465"
                           zFract="0.38409766"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03492"
                           xFract="0.00413744"
                           y3="6.3211"
                           yFract="0.7489455"
                           z3="6.32387"
                           zFract="0.28460261"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07208"
                           xFract="0.24550711"
                           y3="4.26398"
                           yFract="0.5052109"
                           z3="6.42588"
                           zFract="0.28919352"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34486"
                           xFract="0.98872749"
                           y3="4.17523"
                           yFract="0.4946955"
                           z3="4.28944"
                           zFract="0.1930441"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00522"
                           xFract="0.00061848"
                           y3="4.2270"
                           yFract="0.50082938"
                           z3="8.47769"
                           zFract="0.3815342"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21748"
                           xFract="0.2627346"
                           y3="6.25631"
                           yFract="0.74126896"
                           z3="4.1931"
                           zFract="0.18870837"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.18517"
                           xFract="0.2589064"
                           y3="6.2021"
                           yFract="0.73484597"
                           z3="8.75481"
                           zFract="0.39400585"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18909"
                           xFract="0.49633768"
                           y3="6.27719"
                           yFract="0.74374289"
                           z3="6.40819"
                           zFract="0.28839739"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34652"
                           xFract="0.75195735"
                           y3="4.25241"
                           yFract="0.50384005"
                           z3="6.42155"
                           zFract="0.28899865"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30188"
                           xFract="0.50970142"
                           y3="4.18011"
                           yFract="0.4952737"
                           z3="4.17551"
                           zFract="0.18791674"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23126"
                           xFract="0.50133412"
                           y3="4.21135"
                           yFract="0.49897512"
                           z3="8.73541"
                           zFract="0.39313276"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22959"
                           xFract="0.73810308"
                           y3="6.19582"
                           yFract="0.7341019"
                           z3="4.27055"
                           zFract="0.19219397"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34122"
                           xFract="0.75132938"
                           y3="6.34209"
                           yFract="0.75143246"
                           z3="8.47282"
                           zFract="0.38131503"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.27">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01336"
                           xFract="0.23854976"
                           y3="6.41189"
                           yFract="0.75970261"
                           z3="9.71417"
                           zFract="0.43718137"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24393"
                           xFract="0.50283531"
                           y3="6.32416"
                           yFract="0.74930806"
                           z3="4.22412"
                           zFract="0.19010441"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10163"
                           xFract="-0.01204147"
                           y3="6.29366"
                           yFract="0.74569431"
                           z3="8.42447"
                           zFract="0.37913906"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3164"
                           xFract="0.74838863"
                           y3="4.22047"
                           yFract="0.50005569"
                           z3="4.20688"
                           zFract="0.18932853"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32035"
                           xFract="0.74885664"
                           y3="6.30732"
                           yFract="0.7473128"
                           z3="6.32566"
                           zFract="0.28468317"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30842"
                           xFract="0.74744313"
                           y3="4.20671"
                           yFract="0.49842536"
                           z3="8.50108"
                           zFract="0.38258686"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43176"
                           xFract="0.9990237"
                           y3="2.1250"
                           yFract="0.25177725"
                           z3="4.21714"
                           zFract="0.18979028"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22108"
                           xFract="0.50012796"
                           y3="2.09348"
                           yFract="0.24804265"
                           z3="4.20197"
                           zFract="0.18910756"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.31244"
                           xFract="0.51095261"
                           y3="6.27493"
                           yFract="0.74347512"
                           z3="8.44188"
                           zFract="0.37992259"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31608"
                           xFract="0.74835071"
                           y3="-0.0207"
                           yFract="-0.00245261"
                           z3="8.45107"
                           zFract="0.38033618"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13803"
                           xFract="0.25332109"
                           y3="2.10974"
                           yFract="0.24996919"
                           z3="6.28892"
                           zFract="0.2830297"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13717"
                           xFract="0.25321919"
                           y3="4.14455"
                           yFract="0.49106043"
                           z3="8.4425"
                           zFract="0.3799505"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12758"
                           xFract="0.25208294"
                           y3="6.33986"
                           yFract="0.75116825"
                           z3="6.17947"
                           zFract="0.27810396"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41034"
                           xFract="0.99648578"
                           y3="2.12646"
                           yFract="0.25195024"
                           z3="8.43212"
                           zFract="0.37948335"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40608"
                           xFract="0.99598104"
                           y3="4.2375"
                           yFract="0.50207346"
                           z3="6.35663"
                           zFract="0.28607696"/>
                     <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="2.10171"
                           xFract="0.24901777"
                           y3="-0.01507"
                           yFract="-0.00178555"
                           z3="4.18953"
                           zFract="0.1885477"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.24625"
                           xFract="0.50311019"
                           y3="4.21288"
                           yFract="0.4991564"
                           z3="6.37932"
                           zFract="0.28709811"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00713"
                           xFract="-0.00084479"
                           y3="6.35474"
                           yFract="0.75293128"
                           z3="4.19821"
                           zFract="0.18893834"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22407"
                           xFract="0.50048223"
                           y3="8.42308"
                           yFract="0.99799526"
                           z3="6.32762"
                           zFract="0.28477138"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32311"
                           xFract="0.74918365"
                           y3="8.42567"
                           yFract="0.99830213"
                           z3="4.22579"
                           zFract="0.19017957"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26853"
                           xFract="0.50575"
                           y3="2.1295"
                           yFract="0.25231043"
                           z3="8.52642"
                           zFract="0.38372727"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10194"
                           xFract="0.24904502"
                           y3="4.21751"
                           yFract="0.49970498"
                           z3="4.21909"
                           zFract="0.18987804"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00874"
                           xFract="-0.00103555"
                           y3="0.00051"
                           yFract="0.00006043"
                           z3="6.36252"
                           zFract="0.28634203"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15405"
                           xFract="0.25521919"
                           y3="0.13462"
                           yFract="0.01595024"
                           z3="8.44759"
                           zFract="0.38017957"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30518"
                           xFract="0.74705924"
                           y3="2.11459"
                           yFract="0.25054384"
                           z3="6.34671"
                           zFract="0.28563051"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02514"
                           xFract="0.00297867"
                           y3="2.1317"
                           yFract="0.25257109"
                           z3="6.34349"
                           zFract="0.2854856"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14817"
                           xFract="0.25452251"
                           y3="-0.03242"
                           yFract="-0.00384123"
                           z3="6.37033"
                           zFract="0.28669352"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.4016"
                           xFract="0.99545024"
                           y3="0.06662"
                           yFract="0.00789336"
                           z3="4.25409"
                           zFract="0.1914532"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04867"
                           xFract="0.00576659"
                           y3="8.40826"
                           yFract="0.99623934"
                           z3="8.53036"
                           zFract="0.38390459"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11359"
                           xFract="0.25042536"
                           y3="2.17178"
                           yFract="0.25731991"
                           z3="4.21567"
                           zFract="0.18972412"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07537"
                           xFract="0.24589692"
                           y3="2.13848"
                           yFract="0.25337441"
                           z3="8.45122"
                           zFract="0.38034293"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20641"
                           xFract="0.49838981"
                           y3="2.1401"
                           yFract="0.25356635"
                           z3="6.30152"
                           zFract="0.28359676"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29116"
                           xFract="0.7453981"
                           y3="8.39927"
                           yFract="0.99517417"
                           z3="6.37911"
                           zFract="0.28708866"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24826"
                           xFract="0.50334834"
                           y3="0.0234"
                           yFract="0.00277251"
                           z3="4.16918"
                           zFract="0.18763186"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.18802"
                           xFract="0.4962109"
                           y3="8.38836"
                           yFract="0.99388152"
                           z3="8.70605"
                           zFract="0.39181143"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32589"
                           xFract="0.74951303"
                           y3="2.23712"
                           yFract="0.26506161"
                           z3="4.18482"
                           zFract="0.18833573"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35787"
                           xFract="0.75330213"
                           y3="2.04972"
                           yFract="0.24285782"
                           z3="8.53292"
                           zFract="0.3840198"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03469"
                           xFract="0.00411019"
                           y3="6.32128"
                           yFract="0.74896682"
                           z3="6.32587"
                           zFract="0.28469262"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07345"
                           xFract="0.24566943"
                           y3="4.26571"
                           yFract="0.50541588"
                           z3="6.42801"
                           zFract="0.28928938"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34604"
                           xFract="0.9888673"
                           y3="4.1765"
                           yFract="0.49484597"
                           z3="4.28986"
                           zFract="0.19306301"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00448"
                           xFract="0.00053081"
                           y3="4.22657"
                           yFract="0.50077844"
                           z3="8.47751"
                           zFract="0.3815261"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21782"
                           xFract="0.26277488"
                           y3="6.25504"
                           yFract="0.74111848"
                           z3="4.19149"
                           zFract="0.18863591"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.18397"
                           xFract="0.25876422"
                           y3="6.20418"
                           yFract="0.73509242"
                           z3="8.77726"
                           zFract="0.3950162"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18799"
                           xFract="0.49620735"
                           y3="6.27602"
                           yFract="0.74360427"
                           z3="6.41296"
                           zFract="0.28861206"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3460"
                           xFract="0.75189573"
                           y3="4.25227"
                           yFract="0.50382346"
                           z3="6.42111"
                           zFract="0.28897885"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30186"
                           xFract="0.50969905"
                           y3="4.18006"
                           yFract="0.49526777"
                           z3="4.1752"
                           zFract="0.18790279"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23289"
                           xFract="0.50152725"
                           y3="4.20966"
                           yFract="0.49877488"
                           z3="8.73686"
                           zFract="0.39319802"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22862"
                           xFract="0.73798815"
                           y3="6.1972"
                           yFract="0.7342654"
                           z3="4.27253"
                           zFract="0.19228308"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34059"
                           xFract="0.75125474"
                           y3="6.34262"
                           yFract="0.75149526"
                           z3="8.47366"
                           zFract="0.38135284"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.28">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01289"
                           xFract="0.23849408"
                           y3="6.41228"
                           yFract="0.75974882"
                           z3="9.71535"
                           zFract="0.43723447"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24383"
                           xFract="0.50282346"
                           y3="6.32419"
                           yFract="0.74931161"
                           z3="4.22432"
                           zFract="0.19011341"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10136"
                           xFract="-0.01200948"
                           y3="6.29351"
                           yFract="0.74567654"
                           z3="8.42497"
                           zFract="0.37916157"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31647"
                           xFract="0.74839692"
                           y3="4.22049"
                           yFract="0.50005806"
                           z3="4.20679"
                           zFract="0.18932448"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32011"
                           xFract="0.7488282"
                           y3="6.30729"
                           yFract="0.74730924"
                           z3="6.32584"
                           zFract="0.28469127"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30854"
                           xFract="0.74745735"
                           y3="4.20653"
                           yFract="0.49840403"
                           z3="8.50099"
                           zFract="0.38258281"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43182"
                           xFract="0.99903081"
                           y3="2.1249"
                           yFract="0.2517654"
                           z3="4.21711"
                           zFract="0.18978893"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22115"
                           xFract="0.50013626"
                           y3="2.09351"
                           yFract="0.24804621"
                           z3="4.20198"
                           zFract="0.18910801"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.31207"
                           xFract="0.51090877"
                           y3="6.27473"
                           yFract="0.74345142"
                           z3="8.44277"
                           zFract="0.37996265"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31611"
                           xFract="0.74835427"
                           y3="-0.02074"
                           yFract="-0.00245735"
                           z3="8.45099"
                           zFract="0.38033258"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13813"
                           xFract="0.25333294"
                           y3="2.10987"
                           yFract="0.2499846"
                           z3="6.28924"
                           zFract="0.2830441"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13719"
                           xFract="0.25322156"
                           y3="4.14457"
                           yFract="0.4910628"
                           z3="8.44324"
                           zFract="0.3799838"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12764"
                           xFract="0.25209005"
                           y3="6.33989"
                           yFract="0.7511718"
                           z3="6.17947"
                           zFract="0.27810396"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41053"
                           xFract="0.99650829"
                           y3="2.12636"
                           yFract="0.25193839"
                           z3="8.43187"
                           zFract="0.3794721"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40628"
                           xFract="0.99600474"
                           y3="4.23762"
                           yFract="0.50208768"
                           z3="6.35666"
                           zFract="0.28607831"/>
                     <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="2.10157"
                           xFract="0.24900118"
                           y3="-0.01503"
                           yFract="-0.00178081"
                           z3="4.18964"
                           zFract="0.18855266"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.24614"
                           xFract="0.50309716"
                           y3="4.21294"
                           yFract="0.49916351"
                           z3="6.37932"
                           zFract="0.28709811"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00743"
                           xFract="-0.00088033"
                           y3="6.35469"
                           yFract="0.75292536"
                           z3="4.19859"
                           zFract="0.18895545"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22394"
                           xFract="0.50046682"
                           y3="8.42292"
                           yFract="0.9979763"
                           z3="6.32769"
                           zFract="0.28477453"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32318"
                           xFract="0.74919194"
                           y3="8.4256"
                           yFract="0.99829384"
                           z3="4.22581"
                           zFract="0.19018047"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26858"
                           xFract="0.50575592"
                           y3="2.12947"
                           yFract="0.25230687"
                           z3="8.52636"
                           zFract="0.38372457"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1019"
                           xFract="0.24904028"
                           y3="4.21752"
                           yFract="0.49970616"
                           z3="4.21921"
                           zFract="0.18988344"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00854"
                           xFract="-0.00101185"
                           y3="0.00043"
                           yFract="0.00005095"
                           z3="6.36271"
                           zFract="0.28635059"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15392"
                           xFract="0.25520379"
                           y3="0.1343"
                           yFract="0.01591232"
                           z3="8.44789"
                           zFract="0.38019307"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30523"
                           xFract="0.74706517"
                           y3="2.11447"
                           yFract="0.25052962"
                           z3="6.34686"
                           zFract="0.28563726"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02518"
                           xFract="0.00298341"
                           y3="2.13173"
                           yFract="0.25257464"
                           z3="6.3433"
                           zFract="0.28547705"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1484"
                           xFract="0.25454976"
                           y3="-0.03245"
                           yFract="-0.00384479"
                           z3="6.37047"
                           zFract="0.28669982"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40173"
                           xFract="0.99546564"
                           y3="0.06616"
                           yFract="0.00783886"
                           z3="4.25433"
                           zFract="0.191464"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04891"
                           xFract="0.00579502"
                           y3="8.40812"
                           yFract="0.99622275"
                           z3="8.53045"
                           zFract="0.38390864"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1134"
                           xFract="0.25040284"
                           y3="2.17197"
                           yFract="0.25734242"
                           z3="4.2160"
                           zFract="0.18973897"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07534"
                           xFract="0.24589336"
                           y3="2.13848"
                           yFract="0.25337441"
                           z3="8.45101"
                           zFract="0.38033348"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20661"
                           xFract="0.49841351"
                           y3="2.1403"
                           yFract="0.25359005"
                           z3="6.30137"
                           zFract="0.28359001"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29111"
                           xFract="0.74539218"
                           y3="8.39916"
                           yFract="0.99516114"
                           z3="6.37921"
                           zFract="0.28709316"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24813"
                           xFract="0.50333294"
                           y3="0.02327"
                           yFract="0.00275711"
                           z3="4.16931"
                           zFract="0.18763771"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.18797"
                           xFract="0.49620498"
                           y3="8.38857"
                           yFract="0.9939064"
                           z3="8.70599"
                           zFract="0.39180873"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32611"
                           xFract="0.7495391"
                           y3="2.23705"
                           yFract="0.26505332"
                           z3="4.18478"
                           zFract="0.18833393"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35814"
                           xFract="0.75333412"
                           y3="2.04942"
                           yFract="0.24282227"
                           z3="8.53264"
                           zFract="0.3840072"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03466"
                           xFract="0.00410664"
                           y3="6.32131"
                           yFract="0.74897038"
                           z3="6.3262"
                           zFract="0.28470747"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07368"
                           xFract="0.24569668"
                           y3="4.2660"
                           yFract="0.50545024"
                           z3="6.42837"
                           zFract="0.28930558"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34623"
                           xFract="0.98888981"
                           y3="4.17671"
                           yFract="0.49487085"
                           z3="4.28993"
                           zFract="0.19306616"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00435"
                           xFract="0.0005154"
                           y3="4.2265"
                           yFract="0.50077014"
                           z3="8.47748"
                           zFract="0.38152475"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21788"
                           xFract="0.26278199"
                           y3="6.25483"
                           yFract="0.7410936"
                           z3="4.19122"
                           zFract="0.18862376"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.18376"
                           xFract="0.25873934"
                           y3="6.20453"
                           yFract="0.73513389"
                           z3="8.78101"
                           zFract="0.39518497"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.1878"
                           xFract="0.49618483"
                           y3="6.27582"
                           yFract="0.74358057"
                           z3="6.41376"
                           zFract="0.28864806"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34591"
                           xFract="0.75188507"
                           y3="4.25225"
                           yFract="0.50382109"
                           z3="6.42104"
                           zFract="0.2889757"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30185"
                           xFract="0.50969787"
                           y3="4.18005"
                           yFract="0.49526659"
                           z3="4.17515"
                           zFract="0.18790054"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23317"
                           xFract="0.50156043"
                           y3="4.20938"
                           yFract="0.49874171"
                           z3="8.7371"
                           zFract="0.39320882"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22846"
                           xFract="0.73796919"
                           y3="6.19743"
                           yFract="0.73429265"
                           z3="4.27286"
                           zFract="0.19229793"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34048"
                           xFract="0.75124171"
                           y3="6.34271"
                           yFract="0.75150592"
                           z3="8.4738"
                           zFract="0.38135914"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.29">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01265"
                           xFract="0.23846564"
                           y3="6.41233"
                           yFract="0.75975474"
                           z3="9.71841"
                           zFract="0.43737219"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24313"
                           xFract="0.50274052"
                           y3="6.32425"
                           yFract="0.74931872"
                           z3="4.22433"
                           zFract="0.19011386"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10117"
                           xFract="-0.01198697"
                           y3="6.29355"
                           yFract="0.74568128"
                           z3="8.42492"
                           zFract="0.37915932"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31657"
                           xFract="0.74840877"
                           y3="4.22119"
                           yFract="0.500141"
                           z3="4.20748"
                           zFract="0.18935554"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32036"
                           xFract="0.74885782"
                           y3="6.30711"
                           yFract="0.74728791"
                           z3="6.32635"
                           zFract="0.28471422"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30775"
                           xFract="0.74736374"
                           y3="4.20626"
                           yFract="0.49837204"
                           z3="8.50096"
                           zFract="0.38258146"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43132"
                           xFract="0.99897156"
                           y3="2.12499"
                           yFract="0.25177607"
                           z3="4.21791"
                           zFract="0.18982493"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22187"
                           xFract="0.50022156"
                           y3="2.09443"
                           yFract="0.24815521"
                           z3="4.20098"
                           zFract="0.18906301"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.31381"
                           xFract="0.51111493"
                           y3="6.27546"
                           yFract="0.74353791"
                           z3="8.44451"
                           zFract="0.38004095"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31538"
                           xFract="0.74826777"
                           y3="-0.02083"
                           yFract="-0.00246801"
                           z3="8.4507"
                           zFract="0.38031953"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13853"
                           xFract="0.25338033"
                           y3="2.10986"
                           yFract="0.24998341"
                           z3="6.28971"
                           zFract="0.28306526"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13724"
                           xFract="0.25322749"
                           y3="4.14267"
                           yFract="0.49083768"
                           z3="8.44393"
                           zFract="0.38001485"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1277"
                           xFract="0.25209716"
                           y3="6.34021"
                           yFract="0.75120972"
                           z3="6.18035"
                           zFract="0.27814356"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41094"
                           xFract="0.99655687"
                           y3="2.12643"
                           yFract="0.25194668"
                           z3="8.43161"
                           zFract="0.3794604"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40651"
                           xFract="0.99603199"
                           y3="4.23803"
                           yFract="0.50213626"
                           z3="6.35721"
                           zFract="0.28610306"/>
                     <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="2.10194"
                           xFract="0.24904502"
                           y3="-0.01464"
                           yFract="-0.0017346"
                           z3="4.18994"
                           zFract="0.18856616"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.24544"
                           xFract="0.50301422"
                           y3="4.21292"
                           yFract="0.49916114"
                           z3="6.38006"
                           zFract="0.28713141"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00787"
                           xFract="-0.00093246"
                           y3="6.35472"
                           yFract="0.75292891"
                           z3="4.19822"
                           zFract="0.18893879"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2238"
                           xFract="0.50045024"
                           y3="8.42294"
                           yFract="0.99797867"
                           z3="6.32854"
                           zFract="0.28481278"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32295"
                           xFract="0.74916469"
                           y3="8.42583"
                           yFract="0.99832109"
                           z3="4.22601"
                           zFract="0.19018947"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26846"
                           xFract="0.50574171"
                           y3="2.12895"
                           yFract="0.25224526"
                           z3="8.52623"
                           zFract="0.38371872"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10222"
                           xFract="0.2490782"
                           y3="4.21739"
                           yFract="0.49969076"
                           z3="4.21967"
                           zFract="0.18990414"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00781"
                           xFract="-0.00092536"
                           y3="-0.00019"
                           yFract="-0.00002251"
                           z3="6.3623"
                           zFract="0.28633213"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1545"
                           xFract="0.25527251"
                           y3="0.13398"
                           yFract="0.01587441"
                           z3="8.44803"
                           zFract="0.38019937"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30507"
                           xFract="0.74704621"
                           y3="2.11455"
                           yFract="0.2505391"
                           z3="6.34627"
                           zFract="0.28561071"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02489"
                           xFract="0.00294905"
                           y3="2.13184"
                           yFract="0.25258768"
                           z3="6.34303"
                           zFract="0.2854649"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14811"
                           xFract="0.2545154"
                           y3="-0.03332"
                           yFract="-0.00394787"
                           z3="6.36957"
                           zFract="0.28665932"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40184"
                           xFract="0.99547867"
                           y3="0.06598"
                           yFract="0.00781754"
                           z3="4.25407"
                           zFract="0.1914523"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04764"
                           xFract="0.00564455"
                           y3="8.40732"
                           yFract="0.99612796"
                           z3="8.53126"
                           zFract="0.38394509"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11337"
                           xFract="0.25039929"
                           y3="2.17245"
                           yFract="0.25739929"
                           z3="4.21678"
                           zFract="0.18977408"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0754"
                           xFract="0.24590047"
                           y3="2.14064"
                           yFract="0.25363033"
                           z3="8.4524"
                           zFract="0.38039604"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20709"
                           xFract="0.49847038"
                           y3="2.14032"
                           yFract="0.25359242"
                           z3="6.30133"
                           zFract="0.28358821"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29126"
                           xFract="0.74540995"
                           y3="8.39926"
                           yFract="0.99517299"
                           z3="6.37899"
                           zFract="0.28708326"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24812"
                           xFract="0.50333175"
                           y3="0.02266"
                           yFract="0.00268483"
                           z3="4.17004"
                           zFract="0.18767057"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.18896"
                           xFract="0.49632227"
                           y3="8.38866"
                           yFract="0.99391706"
                           z3="8.70628"
                           zFract="0.39182178"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32602"
                           xFract="0.74952844"
                           y3="2.23661"
                           yFract="0.26500118"
                           z3="4.18561"
                           zFract="0.18837129"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35847"
                           xFract="0.75337322"
                           y3="2.04961"
                           yFract="0.24284479"
                           z3="8.53258"
                           zFract="0.3840045"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03482"
                           xFract="0.00412559"
                           y3="6.32131"
                           yFract="0.74897038"
                           z3="6.3268"
                           zFract="0.28473447"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07336"
                           xFract="0.24565877"
                           y3="4.26671"
                           yFract="0.50553436"
                           z3="6.42712"
                           zFract="0.28924932"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34613"
                           xFract="0.98887796"
                           y3="4.1770"
                           yFract="0.49490521"
                           z3="4.28948"
                           zFract="0.1930459"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00428"
                           xFract="0.00050711"
                           y3="4.22625"
                           yFract="0.50074052"
                           z3="8.47849"
                           zFract="0.38157021"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.21871"
                           xFract="0.26288033"
                           y3="6.25416"
                           yFract="0.74101422"
                           z3="4.19123"
                           zFract="0.18862421"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.18299"
                           xFract="0.2586481"
                           y3="6.2050"
                           yFract="0.73518957"
                           z3="8.78318"
                           zFract="0.39528263"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18652"
                           xFract="0.49603318"
                           y3="6.2760"
                           yFract="0.7436019"
                           z3="6.41302"
                           zFract="0.28861476"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34646"
                           xFract="0.75195024"
                           y3="4.2520"
                           yFract="0.50379147"
                           z3="6.42064"
                           zFract="0.2889577"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30184"
                           xFract="0.50969668"
                           y3="4.18006"
                           yFract="0.49526777"
                           z3="4.17556"
                           zFract="0.18791899"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23309"
                           xFract="0.50155095"
                           y3="4.20884"
                           yFract="0.49867773"
                           z3="8.73768"
                           zFract="0.39323492"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22852"
                           xFract="0.7379763"
                           y3="6.19661"
                           yFract="0.7341955"
                           z3="4.27339"
                           zFract="0.19232178"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3404"
                           xFract="0.75123223"
                           y3="6.3422"
                           yFract="0.7514455"
                           z3="8.47432"
                           zFract="0.38138254"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.30">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01195"
                           xFract="0.2383827"
                           y3="6.41249"
                           yFract="0.7597737"
                           z3="9.72759"
                           zFract="0.43778533"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24101"
                           xFract="0.50248934"
                           y3="6.32443"
                           yFract="0.74934005"
                           z3="4.22436"
                           zFract="0.19011521"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10059"
                           xFract="-0.01191825"
                           y3="6.29368"
                           yFract="0.74569668"
                           z3="8.42478"
                           zFract="0.37915302"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31686"
                           xFract="0.74844313"
                           y3="4.22329"
                           yFract="0.50038981"
                           z3="4.20955"
                           zFract="0.18944869"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.3211"
                           xFract="0.7489455"
                           y3="6.30656"
                           yFract="0.74722275"
                           z3="6.3279"
                           zFract="0.28478398"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3054"
                           xFract="0.74708531"
                           y3="4.20545"
                           yFract="0.49827607"
                           z3="8.50088"
                           zFract="0.38257786"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42982"
                           xFract="0.99879384"
                           y3="2.12528"
                           yFract="0.25181043"
                           z3="4.22032"
                           zFract="0.18993339"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22404"
                           xFract="0.50047867"
                           y3="2.09717"
                           yFract="0.24847986"
                           z3="4.19798"
                           zFract="0.18892799"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.31904"
                           xFract="0.5117346"
                           y3="6.27765"
                           yFract="0.74379739"
                           z3="8.44971"
                           zFract="0.38027498"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31319"
                           xFract="0.74800829"
                           y3="-0.02111"
                           yFract="-0.00250118"
                           z3="8.44983"
                           zFract="0.38028038"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13972"
                           xFract="0.25352133"
                           y3="2.10981"
                           yFract="0.24997749"
                           z3="6.29113"
                           zFract="0.28312916"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13739"
                           xFract="0.25324526"
                           y3="4.13695"
                           yFract="0.49015995"
                           z3="8.4460"
                           zFract="0.38010801"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12787"
                           xFract="0.2521173"
                           y3="6.34119"
                           yFract="0.75132583"
                           z3="6.18298"
                           zFract="0.27826193"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41217"
                           xFract="0.99670261"
                           y3="2.12661"
                           yFract="0.25196801"
                           z3="8.43083"
                           zFract="0.37942529"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40721"
                           xFract="0.99611493"
                           y3="4.23928"
                           yFract="0.50228436"
                           z3="6.35885"
                           zFract="0.28617687"/>
                     <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="2.10304"
                           xFract="0.24917536"
                           y3="-0.01347"
                           yFract="-0.00159597"
                           z3="4.19084"
                           zFract="0.18860666"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.24333"
                           xFract="0.50276422"
                           y3="4.21287"
                           yFract="0.49915521"
                           z3="6.38227"
                           zFract="0.28723087"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00918"
                           xFract="-0.00108768"
                           y3="6.35481"
                           yFract="0.75293957"
                           z3="4.19712"
                           zFract="0.18888929"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22335"
                           xFract="0.50039692"
                           y3="8.42303"
                           yFract="0.99798934"
                           z3="6.33109"
                           zFract="0.28492754"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32226"
                           xFract="0.74908294"
                           y3="8.42652"
                           yFract="0.99840284"
                           z3="4.22662"
                           zFract="0.19021692"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26809"
                           xFract="0.50569787"
                           y3="2.12737"
                           yFract="0.25205806"
                           z3="8.52587"
                           zFract="0.38370252"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10315"
                           xFract="0.24918839"
                           y3="4.21702"
                           yFract="0.49964692"
                           z3="4.22105"
                           zFract="0.18996625"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00563"
                           xFract="-0.00066706"
                           y3="-0.00206"
                           yFract="-0.00024408"
                           z3="6.36108"
                           zFract="0.28627723"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15624"
                           xFract="0.25547867"
                           y3="0.13303"
                           yFract="0.01576185"
                           z3="8.44844"
                           zFract="0.38021782"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30458"
                           xFract="0.74698815"
                           y3="2.11478"
                           yFract="0.25056635"
                           z3="6.3445"
                           zFract="0.28553105"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02403"
                           xFract="0.00284716"
                           y3="2.13216"
                           yFract="0.25262559"
                           z3="6.34222"
                           zFract="0.28542844"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14723"
                           xFract="0.25441114"
                           y3="-0.03592"
                           yFract="-0.00425592"
                           z3="6.36688"
                           zFract="0.28653825"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40216"
                           xFract="0.99551659"
                           y3="0.06543"
                           yFract="0.00775237"
                           z3="4.25331"
                           zFract="0.19141809"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04384"
                           xFract="0.00519431"
                           y3="8.40491"
                           yFract="0.99584242"
                           z3="8.53371"
                           zFract="0.38405536"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11327"
                           xFract="0.25038744"
                           y3="2.17387"
                           yFract="0.25756754"
                           z3="4.21915"
                           zFract="0.18988074"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07559"
                           xFract="0.24592299"
                           y3="2.14715"
                           yFract="0.25440166"
                           z3="8.45657"
                           zFract="0.38058371"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20855"
                           xFract="0.49864336"
                           y3="2.14039"
                           yFract="0.25360071"
                           z3="6.30122"
                           zFract="0.28358326"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.2917"
                           xFract="0.74546209"
                           y3="8.39955"
                           yFract="0.99520735"
                           z3="6.37831"
                           zFract="0.28705266"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24808"
                           xFract="0.50332701"
                           y3="0.02083"
                           yFract="0.00246801"
                           z3="4.17221"
                           zFract="0.18776823"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19194"
                           xFract="0.49667536"
                           y3="8.38894"
                           yFract="0.99395024"
                           z3="8.70713"
                           zFract="0.39186004"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32576"
                           xFract="0.74949763"
                           y3="2.23528"
                           yFract="0.2648436"
                           z3="4.18809"
                           zFract="0.1884829"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35944"
                           xFract="0.75348815"
                           y3="2.05019"
                           yFract="0.24291351"
                           z3="8.5324"
                           zFract="0.3839964"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0353"
                           xFract="0.00418246"
                           y3="6.32132"
                           yFract="0.74897156"
                           z3="6.32861"
                           zFract="0.28481593"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07239"
                           xFract="0.24554384"
                           y3="4.26884"
                           yFract="0.50578673"
                           z3="6.4234"
                           zFract="0.28908191"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34584"
                           xFract="0.9888436"
                           y3="4.17789"
                           yFract="0.49501066"
                           z3="4.28814"
                           zFract="0.1929856"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00407"
                           xFract="0.00048223"
                           y3="4.22548"
                           yFract="0.50064929"
                           z3="8.4815"
                           zFract="0.38170567"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22119"
                           xFract="0.26317417"
                           y3="6.25216"
                           yFract="0.74077725"
                           z3="4.19128"
                           zFract="0.18862646"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.18066"
                           xFract="0.25837204"
                           y3="6.20639"
                           yFract="0.73535427"
                           z3="8.78969"
                           zFract="0.39557561"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18269"
                           xFract="0.49557938"
                           y3="6.27654"
                           yFract="0.74366588"
                           z3="6.41082"
                           zFract="0.28851575"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34811"
                           xFract="0.75214573"
                           y3="4.25123"
                           yFract="0.50370024"
                           z3="6.41943"
                           zFract="0.28890324"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3018"
                           xFract="0.50969194"
                           y3="4.1801"
                           yFract="0.49527251"
                           z3="4.17682"
                           zFract="0.1879757"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23286"
                           xFract="0.5015237"
                           y3="4.20723"
                           yFract="0.49848697"
                           z3="8.73944"
                           zFract="0.39331413"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2287"
                           xFract="0.73799763"
                           y3="6.19413"
                           yFract="0.73390166"
                           z3="4.27499"
                           zFract="0.19239379"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34017"
                           xFract="0.75120498"
                           y3="6.34067"
                           yFract="0.75126422"
                           z3="8.47588"
                           zFract="0.38145275"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.31">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01054"
                           xFract="0.23821564"
                           y3="6.4128"
                           yFract="0.75981043"
                           z3="9.74595"
                           zFract="0.43861161"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23679"
                           xFract="0.50198934"
                           y3="6.3248"
                           yFract="0.74938389"
                           z3="4.22442"
                           zFract="0.19011791"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09945"
                           xFract="-0.01178318"
                           y3="6.29394"
                           yFract="0.74572749"
                           z3="8.4245"
                           zFract="0.37914041"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31744"
                           xFract="0.74851185"
                           y3="4.22749"
                           yFract="0.50088744"
                           z3="4.21369"
                           zFract="0.18963501"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32259"
                           xFract="0.74912204"
                           y3="6.30546"
                           yFract="0.74709242"
                           z3="6.33101"
                           zFract="0.28492394"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3007"
                           xFract="0.74652844"
                           y3="4.20382"
                           yFract="0.49808294"
                           z3="8.50072"
                           zFract="0.38257066"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42683"
                           xFract="0.99843957"
                           y3="2.12585"
                           yFract="0.25187796"
                           z3="4.22515"
                           zFract="0.19015077"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22837"
                           xFract="0.50099171"
                           y3="2.10266"
                           yFract="0.24913033"
                           z3="4.19199"
                           zFract="0.18865842"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32948"
                           xFract="0.51297156"
                           y3="6.28203"
                           yFract="0.74431635"
                           z3="8.46011"
                           zFract="0.38074302"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.30879"
                           xFract="0.74748697"
                           y3="-0.02167"
                           yFract="-0.00256754"
                           z3="8.4481"
                           zFract="0.38020252"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14209"
                           xFract="0.25380213"
                           y3="2.10972"
                           yFract="0.24996682"
                           z3="6.29395"
                           zFract="0.28325608"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1377"
                           xFract="0.25328199"
                           y3="4.12553"
                           yFract="0.48880687"
                           z3="8.45014"
                           zFract="0.38029433"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1282"
                           xFract="0.2521564"
                           y3="6.34316"
                           yFract="0.75155924"
                           z3="6.18825"
                           zFract="0.2784991"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41462"
                           xFract="0.99699289"
                           y3="2.12697"
                           yFract="0.25201066"
                           z3="8.42926"
                           zFract="0.37935464"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40862"
                           xFract="0.99628199"
                           y3="4.24177"
                           yFract="0.50257938"
                           z3="6.36214"
                           zFract="0.28632493"/>
                     <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="2.10525"
                           xFract="0.2494372"
                           y3="-0.01114"
                           yFract="-0.00131991"
                           z3="4.19263"
                           zFract="0.18868722"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23913"
                           xFract="0.50226659"
                           y3="4.21276"
                           yFract="0.49914218"
                           z3="6.38669"
                           zFract="0.28742979"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.0118"
                           xFract="-0.0013981"
                           y3="6.3550"
                           yFract="0.75296209"
                           z3="4.19491"
                           zFract="0.18878983"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22247"
                           xFract="0.50029265"
                           y3="8.42321"
                           yFract="0.99801066"
                           z3="6.33618"
                           zFract="0.28515662"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32088"
                           xFract="0.74891943"
                           y3="8.42789"
                           yFract="0.99856517"
                           z3="4.22782"
                           zFract="0.19027093"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26736"
                           xFract="0.50561137"
                           y3="2.12422"
                           yFract="0.25168483"
                           z3="8.52515"
                           zFract="0.38367012"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10502"
                           xFract="0.24940995"
                           y3="4.21626"
                           yFract="0.49955687"
                           z3="4.2238"
                           zFract="0.19009001"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00126"
                           xFract="-0.00014929"
                           y3="-0.0058"
                           yFract="-0.0006872"
                           z3="6.35864"
                           zFract="0.28616742"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15971"
                           xFract="0.25588981"
                           y3="0.13111"
                           yFract="0.01553436"
                           z3="8.44927"
                           zFract="0.38025518"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.3036"
                           xFract="0.74687204"
                           y3="2.11526"
                           yFract="0.25062322"
                           z3="6.34095"
                           zFract="0.28537129"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0223"
                           xFract="0.00264218"
                           y3="2.13281"
                           yFract="0.25270261"
                           z3="6.3406"
                           zFract="0.28535554"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14548"
                           xFract="0.25420379"
                           y3="-0.04113"
                           yFract="-0.00487322"
                           z3="6.36149"
                           zFract="0.28629568"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.4028"
                           xFract="0.99559242"
                           y3="0.06434"
                           yFract="0.00762322"
                           z3="4.25177"
                           zFract="0.19134878"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03624"
                           xFract="0.00429384"
                           y3="8.40009"
                           yFract="0.99527133"
                           z3="8.5386"
                           zFract="0.38427543"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11306"
                           xFract="0.25036256"
                           y3="2.17673"
                           yFract="0.2579064"
                           z3="4.22387"
                           zFract="0.19009316"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07595"
                           xFract="0.24596564"
                           y3="2.16016"
                           yFract="0.25594313"
                           z3="8.4649"
                           zFract="0.3809586"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.21146"
                           xFract="0.49898815"
                           y3="2.14051"
                           yFract="0.25361493"
                           z3="6.30099"
                           zFract="0.28357291"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.2926"
                           xFract="0.74556872"
                           y3="8.40015"
                           yFract="0.99527844"
                           z3="6.37696"
                           zFract="0.2869919"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24799"
                           xFract="0.50331635"
                           y3="0.01718"
                           yFract="0.00203555"
                           z3="4.17656"
                           zFract="0.187964"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19788"
                           xFract="0.49737915"
                           y3="8.38949"
                           yFract="0.9940154"
                           z3="8.70883"
                           zFract="0.39193654"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32523"
                           xFract="0.74943483"
                           y3="2.23262"
                           yFract="0.26452844"
                           z3="4.19306"
                           zFract="0.18870657"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36139"
                           xFract="0.75371919"
                           y3="2.05135"
                           yFract="0.24305095"
                           z3="8.53204"
                           zFract="0.3839802"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03627"
                           xFract="0.00429739"
                           y3="6.32133"
                           yFract="0.74897275"
                           z3="6.33222"
                           zFract="0.2849784"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07045"
                           xFract="0.24531398"
                           y3="4.27309"
                           yFract="0.50629028"
                           z3="6.41594"
                           zFract="0.28874617"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34525"
                           xFract="0.9887737"
                           y3="4.17966"
                           yFract="0.49522038"
                           z3="4.28546"
                           zFract="0.19286499"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00366"
                           xFract="0.00043365"
                           y3="4.22396"
                           yFract="0.50046919"
                           z3="8.48753"
                           zFract="0.38197705"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22617"
                           xFract="0.26376422"
                           y3="6.24817"
                           yFract="0.7403045"
                           z3="4.19136"
                           zFract="0.18863006"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17601"
                           xFract="0.25782109"
                           y3="6.20919"
                           yFract="0.73568602"
                           z3="8.80272"
                           zFract="0.39616202"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17501"
                           xFract="0.49466943"
                           y3="6.27763"
                           yFract="0.74379502"
                           z3="6.4064"
                           zFract="0.28831683"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3514"
                           xFract="0.75253555"
                           y3="4.2497"
                           yFract="0.50351896"
                           z3="6.41702"
                           zFract="0.28879478"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30171"
                           xFract="0.50968128"
                           y3="4.18016"
                           yFract="0.49527962"
                           z3="4.17932"
                           zFract="0.18808821"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2324"
                           xFract="0.50146919"
                           y3="4.2040"
                           yFract="0.49810427"
                           z3="8.74294"
                           zFract="0.39347165"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22905"
                           xFract="0.7380391"
                           y3="6.18918"
                           yFract="0.73331517"
                           z3="4.27817"
                           zFract="0.1925369"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.33971"
                           xFract="0.75115047"
                           y3="6.33761"
                           yFract="0.75090166"
                           z3="8.47899"
                           zFract="0.38159271"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.32">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.0113"
                           xFract="0.23830569"
                           y3="6.41263"
                           yFract="0.75979028"
                           z3="9.73606"
                           zFract="0.43816652"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23907"
                           xFract="0.50225948"
                           y3="6.3246"
                           yFract="0.74936019"
                           z3="4.22439"
                           zFract="0.19011656"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.10006"
                           xFract="-0.01185545"
                           y3="6.2938"
                           yFract="0.7457109"
                           z3="8.42465"
                           zFract="0.37914716"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31712"
                           xFract="0.74847393"
                           y3="4.22523"
                           yFract="0.50061967"
                           z3="4.21146"
                           zFract="0.18953465"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32179"
                           xFract="0.74902725"
                           y3="6.30605"
                           yFract="0.74716232"
                           z3="6.32933"
                           zFract="0.28484833"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30324"
                           xFract="0.74682938"
                           y3="4.2047"
                           yFract="0.4981872"
                           z3="8.50081"
                           zFract="0.38257471"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42844"
                           xFract="0.99863033"
                           y3="2.12554"
                           yFract="0.25184123"
                           z3="4.22255"
                           zFract="0.19003375"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22604"
                           xFract="0.50071564"
                           y3="2.0997"
                           yFract="0.24877962"
                           z3="4.19522"
                           zFract="0.18880378"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32385"
                           xFract="0.5123045"
                           y3="6.27967"
                           yFract="0.74403673"
                           z3="8.45451"
                           zFract="0.380491"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31116"
                           xFract="0.74776777"
                           y3="-0.02137"
                           yFract="-0.00253199"
                           z3="8.44903"
                           zFract="0.38024437"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14081"
                           xFract="0.25365047"
                           y3="2.10977"
                           yFract="0.24997275"
                           z3="6.29243"
                           zFract="0.28318767"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13753"
                           xFract="0.25326185"
                           y3="4.13168"
                           yFract="0.48953555"
                           z3="8.44791"
                           zFract="0.38019397"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12802"
                           xFract="0.25213507"
                           y3="6.3421"
                           yFract="0.75143365"
                           z3="6.18541"
                           zFract="0.27837129"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.4133"
                           xFract="0.99683649"
                           y3="2.12678"
                           yFract="0.25198815"
                           z3="8.4301"
                           zFract="0.37939244"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40786"
                           xFract="0.99619194"
                           y3="4.24042"
                           yFract="0.50241943"
                           z3="6.36037"
                           zFract="0.28624527"/>
                     <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="2.10406"
                           xFract="0.24929621"
                           y3="-0.0124"
                           yFract="-0.00146919"
                           z3="4.19166"
                           zFract="0.18864356"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2414"
                           xFract="0.50253555"
                           y3="4.21282"
                           yFract="0.49914929"
                           z3="6.38431"
                           zFract="0.28732268"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01039"
                           xFract="-0.00123104"
                           y3="6.3549"
                           yFract="0.75295024"
                           z3="4.1961"
                           zFract="0.18884338"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22294"
                           xFract="0.50034834"
                           y3="8.42311"
                           yFract="0.99799882"
                           z3="6.33343"
                           zFract="0.28503285"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32162"
                           xFract="0.74900711"
                           y3="8.42715"
                           yFract="0.99847749"
                           z3="4.22717"
                           zFract="0.19024167"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26776"
                           xFract="0.50565877"
                           y3="2.12592"
                           yFract="0.25188626"
                           z3="8.52554"
                           zFract="0.38368767"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10401"
                           xFract="0.24929028"
                           y3="4.21667"
                           yFract="0.49960545"
                           z3="4.22232"
                           zFract="0.1900234"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00361"
                           xFract="-0.00042773"
                           y3="-0.00379"
                           yFract="-0.00044905"
                           z3="6.35996"
                           zFract="0.28622682"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15784"
                           xFract="0.25566825"
                           y3="0.13214"
                           yFract="0.0156564"
                           z3="8.44882"
                           zFract="0.38023492"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30413"
                           xFract="0.74693483"
                           y3="2.1150"
                           yFract="0.25059242"
                           z3="6.34286"
                           zFract="0.28545725"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02323"
                           xFract="0.00275237"
                           y3="2.13246"
                           yFract="0.25266114"
                           z3="6.34147"
                           zFract="0.28539469"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14643"
                           xFract="0.25431635"
                           y3="-0.03832"
                           yFract="-0.00454028"
                           z3="6.36439"
                           zFract="0.28642619"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40245"
                           xFract="0.99555095"
                           y3="0.06493"
                           yFract="0.00769313"
                           z3="4.2526"
                           zFract="0.19138614"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04033"
                           xFract="0.00477844"
                           y3="8.40269"
                           yFract="0.99557938"
                           z3="8.53597"
                           zFract="0.38415707"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11317"
                           xFract="0.25037559"
                           y3="2.17519"
                           yFract="0.25772393"
                           z3="4.22132"
                           zFract="0.1899784"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07575"
                           xFract="0.24594194"
                           y3="2.15315"
                           yFract="0.25511256"
                           z3="8.46041"
                           zFract="0.38075653"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20989"
                           xFract="0.49880213"
                           y3="2.14045"
                           yFract="0.25360782"
                           z3="6.30111"
                           zFract="0.28357831"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29212"
                           xFract="0.74551185"
                           y3="8.39983"
                           yFract="0.99524052"
                           z3="6.37769"
                           zFract="0.28702475"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24804"
                           xFract="0.50332227"
                           y3="0.01915"
                           yFract="0.00226896"
                           z3="4.17422"
                           zFract="0.18785869"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19468"
                           xFract="0.4970"
                           y3="8.3892"
                           yFract="0.99398104"
                           z3="8.70791"
                           zFract="0.39189514"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32552"
                           xFract="0.74946919"
                           y3="2.23405"
                           yFract="0.26469787"
                           z3="4.19038"
                           zFract="0.18858596"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36034"
                           xFract="0.75359479"
                           y3="2.05072"
                           yFract="0.2429763"
                           z3="8.53224"
                           zFract="0.3839892"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03575"
                           xFract="0.00423578"
                           y3="6.32133"
                           yFract="0.74897275"
                           z3="6.33028"
                           zFract="0.28489109"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07149"
                           xFract="0.2454372"
                           y3="4.2708"
                           yFract="0.50601896"
                           z3="6.41996"
                           zFract="0.28892709"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34557"
                           xFract="0.98881161"
                           y3="4.17871"
                           yFract="0.49510782"
                           z3="4.28691"
                           zFract="0.19293024"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00388"
                           xFract="0.00045972"
                           y3="4.22478"
                           yFract="0.50056635"
                           z3="8.48428"
                           zFract="0.38183078"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22349"
                           xFract="0.26344668"
                           y3="6.25032"
                           yFract="0.74055924"
                           z3="4.19132"
                           zFract="0.18862826"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17852"
                           xFract="0.25811848"
                           y3="6.20768"
                           yFract="0.73550711"
                           z3="8.7957"
                           zFract="0.39584608"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17915"
                           xFract="0.49515995"
                           y3="6.27705"
                           yFract="0.7437263"
                           z3="6.40878"
                           zFract="0.28842394"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34963"
                           xFract="0.75232583"
                           y3="4.25053"
                           yFract="0.5036173"
                           z3="6.41832"
                           zFract="0.28885329"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30176"
                           xFract="0.5096872"
                           y3="4.18013"
                           yFract="0.49527607"
                           z3="4.17797"
                           zFract="0.18802745"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23265"
                           xFract="0.50149882"
                           y3="4.20574"
                           yFract="0.49831043"
                           z3="8.74105"
                           zFract="0.39338659"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22886"
                           xFract="0.73801659"
                           y3="6.19185"
                           yFract="0.73363152"
                           z3="4.27645"
                           zFract="0.1924595"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.33996"
                           xFract="0.75118009"
                           y3="6.33926"
                           yFract="0.75109716"
                           z3="8.47731"
                           zFract="0.3815171"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.33">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01201"
                           xFract="0.23838981"
                           y3="6.4108"
                           yFract="0.75957346"
                           z3="9.73833"
                           zFract="0.43826868"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23938"
                           xFract="0.50229621"
                           y3="6.32444"
                           yFract="0.74934123"
                           z3="4.22454"
                           zFract="0.19012331"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09964"
                           xFract="-0.01180569"
                           y3="6.29366"
                           yFract="0.74569431"
                           z3="8.42514"
                           zFract="0.37916922"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31714"
                           xFract="0.7484763"
                           y3="4.22467"
                           yFract="0.50055332"
                           z3="4.21279"
                           zFract="0.18959451"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32186"
                           xFract="0.74903555"
                           y3="6.30578"
                           yFract="0.74713033"
                           z3="6.32978"
                           zFract="0.28486859"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30191"
                           xFract="0.7466718"
                           y3="4.20347"
                           yFract="0.49804147"
                           z3="8.50094"
                           zFract="0.38258056"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42787"
                           xFract="0.9985628"
                           y3="2.12605"
                           yFract="0.25190166"
                           z3="4.22388"
                           zFract="0.19009361"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2268"
                           xFract="0.50080569"
                           y3="2.10046"
                           yFract="0.24886967"
                           z3="4.1941"
                           zFract="0.18875338"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32573"
                           xFract="0.51252725"
                           y3="6.27995"
                           yFract="0.74406991"
                           z3="8.45615"
                           zFract="0.38056481"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31095"
                           xFract="0.74774289"
                           y3="-0.02066"
                           yFract="-0.00244787"
                           z3="8.44829"
                           zFract="0.38021107"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14151"
                           xFract="0.25373341"
                           y3="2.10991"
                           yFract="0.24998934"
                           z3="6.29212"
                           zFract="0.28317372"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1377"
                           xFract="0.25328199"
                           y3="4.13326"
                           yFract="0.48972275"
                           z3="8.44836"
                           zFract="0.38021422"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12767"
                           xFract="0.2520936"
                           y3="6.34176"
                           yFract="0.75139336"
                           z3="6.18619"
                           zFract="0.27840639"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41252"
                           xFract="0.99674408"
                           y3="2.1266"
                           yFract="0.25196682"
                           z3="8.43013"
                           zFract="0.37939379"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40817"
                           xFract="0.99622867"
                           y3="4.24106"
                           yFract="0.50249526"
                           z3="6.36133"
                           zFract="0.28628848"/>
                     <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="2.10518"
                           xFract="0.24942891"
                           y3="-0.01155"
                           yFract="-0.00136848"
                           z3="4.19149"
                           zFract="0.18863591"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.24033"
                           xFract="0.50240877"
                           y3="4.21336"
                           yFract="0.49921327"
                           z3="6.38612"
                           zFract="0.28740414"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01061"
                           xFract="-0.00125711"
                           y3="6.35498"
                           yFract="0.75295972"
                           z3="4.19489"
                           zFract="0.18878893"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22338"
                           xFract="0.50040047"
                           y3="8.42317"
                           yFract="0.99800592"
                           z3="6.33466"
                           zFract="0.28508821"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32098"
                           xFract="0.74893128"
                           y3="8.4273"
                           yFract="0.99849526"
                           z3="4.2276"
                           zFract="0.19026103"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26885"
                           xFract="0.50578791"
                           y3="2.12516"
                           yFract="0.25179621"
                           z3="8.52549"
                           zFract="0.38368542"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1046"
                           xFract="0.24936019"
                           y3="4.21643"
                           yFract="0.49957701"
                           z3="4.22322"
                           zFract="0.19006391"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.0031"
                           xFract="-0.0003673"
                           y3="-0.00479"
                           yFract="-0.00056754"
                           z3="6.35912"
                           zFract="0.28618902"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15815"
                           xFract="0.25570498"
                           y3="0.13265"
                           yFract="0.01571682"
                           z3="8.44859"
                           zFract="0.38022457"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.3041"
                           xFract="0.74693128"
                           y3="2.11527"
                           yFract="0.25062441"
                           z3="6.3420"
                           zFract="0.28541854"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02366"
                           xFract="0.00280332"
                           y3="2.13229"
                           yFract="0.252641"
                           z3="6.3419"
                           zFract="0.28541404"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14538"
                           xFract="0.25419194"
                           y3="-0.03849"
                           yFract="-0.00456043"
                           z3="6.36466"
                           zFract="0.28643834"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40264"
                           xFract="0.99557346"
                           y3="0.06508"
                           yFract="0.0077109"
                           z3="4.25179"
                           zFract="0.19134968"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03903"
                           xFract="0.00462441"
                           y3="8.40213"
                           yFract="0.99551303"
                           z3="8.53719"
                           zFract="0.38421197"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11351"
                           xFract="0.25041588"
                           y3="2.17567"
                           yFract="0.25778081"
                           z3="4.22221"
                           zFract="0.19001845"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07581"
                           xFract="0.24594905"
                           y3="2.15069"
                           yFract="0.25482109"
                           z3="8.4631"
                           zFract="0.38087759"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2096"
                           xFract="0.49876777"
                           y3="2.14009"
                           yFract="0.25356517"
                           z3="6.30166"
                           zFract="0.28360306"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29256"
                           xFract="0.74556398"
                           y3="8.39955"
                           yFract="0.99520735"
                           z3="6.37709"
                           zFract="0.28699775"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24797"
                           xFract="0.50331398"
                           y3="0.01841"
                           yFract="0.00218128"
                           z3="4.17534"
                           zFract="0.18790909"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19603"
                           xFract="0.49715995"
                           y3="8.38937"
                           yFract="0.99400118"
                           z3="8.70903"
                           zFract="0.39194554"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32513"
                           xFract="0.74942299"
                           y3="2.23444"
                           yFract="0.26474408"
                           z3="4.19145"
                           zFract="0.18863411"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36003"
                           xFract="0.75355806"
                           y3="2.05154"
                           yFract="0.24307346"
                           z3="8.53228"
                           zFract="0.383991"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03598"
                           xFract="0.00426303"
                           y3="6.32126"
                           yFract="0.74896445"
                           z3="6.33117"
                           zFract="0.28493114"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07029"
                           xFract="0.24529502"
                           y3="4.27088"
                           yFract="0.50602844"
                           z3="6.41974"
                           zFract="0.28891719"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34489"
                           xFract="0.98873104"
                           y3="4.17933"
                           yFract="0.49518128"
                           z3="4.28644"
                           zFract="0.19290909"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00404"
                           xFract="0.00047867"
                           y3="4.22446"
                           yFract="0.50052844"
                           z3="8.48617"
                           zFract="0.38191584"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22414"
                           xFract="0.2635237"
                           y3="6.24971"
                           yFract="0.74048697"
                           z3="4.1918"
                           zFract="0.18864986"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17703"
                           xFract="0.25794194"
                           y3="6.20944"
                           yFract="0.73571564"
                           z3="8.80163"
                           zFract="0.39611296"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17806"
                           xFract="0.49503081"
                           y3="6.27759"
                           yFract="0.74379028"
                           z3="6.40892"
                           zFract="0.28843024"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35052"
                           xFract="0.75243128"
                           y3="4.25053"
                           yFract="0.5036173"
                           z3="6.4179"
                           zFract="0.28883438"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30233"
                           xFract="0.50975474"
                           y3="4.1805"
                           yFract="0.49531991"
                           z3="4.17874"
                           zFract="0.18806211"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23195"
                           xFract="0.50141588"
                           y3="4.20562"
                           yFract="0.49829621"
                           z3="8.74212"
                           zFract="0.39343474"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2283"
                           xFract="0.73795024"
                           y3="6.19087"
                           yFract="0.7335154"
                           z3="4.27749"
                           zFract="0.1925063"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34035"
                           xFract="0.7512263"
                           y3="6.33824"
                           yFract="0.7509763"
                           z3="8.47854"
                           zFract="0.38157246"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.34">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01285"
                           xFract="0.23848934"
                           y3="6.40861"
                           yFract="0.75931398"
                           z3="9.74103"
                           zFract="0.43839019"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23976"
                           xFract="0.50234123"
                           y3="6.32426"
                           yFract="0.74931991"
                           z3="4.22472"
                           zFract="0.19013141"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09914"
                           xFract="-0.01174645"
                           y3="6.29349"
                           yFract="0.74567417"
                           z3="8.42572"
                           zFract="0.37919532"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31717"
                           xFract="0.74847986"
                           y3="4.22399"
                           yFract="0.50047275"
                           z3="4.21438"
                           zFract="0.18966607"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32195"
                           xFract="0.74904621"
                           y3="6.30546"
                           yFract="0.74709242"
                           z3="6.33032"
                           zFract="0.28489289"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30032"
                           xFract="0.74648341"
                           y3="4.2020"
                           yFract="0.4978673"
                           z3="8.50111"
                           zFract="0.38258821"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42718"
                           xFract="0.99848104"
                           y3="2.12666"
                           yFract="0.25197393"
                           z3="4.22547"
                           zFract="0.19016517"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22771"
                           xFract="0.50091351"
                           y3="2.10136"
                           yFract="0.2489763"
                           z3="4.19278"
                           zFract="0.18869397"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32797"
                           xFract="0.51279265"
                           y3="6.28029"
                           yFract="0.74411019"
                           z3="8.45812"
                           zFract="0.38065347"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31069"
                           xFract="0.74771209"
                           y3="-0.01981"
                           yFract="-0.00234716"
                           z3="8.44741"
                           zFract="0.38017147"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14234"
                           xFract="0.25383175"
                           y3="2.11008"
                           yFract="0.25000948"
                           z3="6.29174"
                           zFract="0.28315662"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1379"
                           xFract="0.25330569"
                           y3="4.13514"
                           yFract="0.4899455"
                           z3="8.4489"
                           zFract="0.38023852"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12725"
                           xFract="0.25204384"
                           y3="6.34135"
                           yFract="0.75134479"
                           z3="6.18712"
                           zFract="0.27844824"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.4116"
                           xFract="0.99663507"
                           y3="2.12639"
                           yFract="0.25194194"
                           z3="8.43017"
                           zFract="0.37939559"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40854"
                           xFract="0.99627251"
                           y3="4.24181"
                           yFract="0.50258412"
                           z3="6.36248"
                           zFract="0.28634023"/>
                     <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="2.10652"
                           xFract="0.24958768"
                           y3="-0.01053"
                           yFract="-0.00124763"
                           z3="4.19129"
                           zFract="0.18862691"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23906"
                           xFract="0.50225829"
                           y3="4.2140"
                           yFract="0.4992891"
                           z3="6.38828"
                           zFract="0.28750135"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01087"
                           xFract="-0.00128791"
                           y3="6.35509"
                           yFract="0.75297275"
                           z3="4.19345"
                           zFract="0.18872412"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22389"
                           xFract="0.5004609"
                           y3="8.42323"
                           yFract="0.99801303"
                           z3="6.33612"
                           zFract="0.28515392"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32022"
                           xFract="0.74884123"
                           y3="8.42748"
                           yFract="0.99851659"
                           z3="4.22811"
                           zFract="0.19028398"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.27016"
                           xFract="0.50594313"
                           y3="2.12426"
                           yFract="0.25168957"
                           z3="8.52544"
                           zFract="0.38368317"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1053"
                           xFract="0.24944313"
                           y3="4.21614"
                           yFract="0.49954265"
                           z3="4.2243"
                           zFract="0.19011251"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00248"
                           xFract="-0.00029384"
                           y3="-0.00599"
                           yFract="-0.00070972"
                           z3="6.35813"
                           zFract="0.28614446"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15852"
                           xFract="0.25574882"
                           y3="0.13326"
                           yFract="0.0157891"
                           z3="8.44832"
                           zFract="0.38021242"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30407"
                           xFract="0.74692773"
                           y3="2.11559"
                           yFract="0.25066232"
                           z3="6.34097"
                           zFract="0.28537219"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02418"
                           xFract="0.00286493"
                           y3="2.13208"
                           yFract="0.25261611"
                           z3="6.3424"
                           zFract="0.28543654"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14414"
                           xFract="0.25404502"
                           y3="-0.03868"
                           yFract="-0.00458294"
                           z3="6.36498"
                           zFract="0.28645275"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40286"
                           xFract="0.99559953"
                           y3="0.06526"
                           yFract="0.00773223"
                           z3="4.25083"
                           zFract="0.19130648"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03747"
                           xFract="0.00443957"
                           y3="8.40148"
                           yFract="0.99543602"
                           z3="8.53864"
                           zFract="0.38427723"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11392"
                           xFract="0.25046445"
                           y3="2.17625"
                           yFract="0.25784953"
                           z3="4.22327"
                           zFract="0.19006616"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07588"
                           xFract="0.24595735"
                           y3="2.14777"
                           yFract="0.25447512"
                           z3="8.4663"
                           zFract="0.3810216"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20924"
                           xFract="0.49872512"
                           y3="2.13967"
                           yFract="0.2535154"
                           z3="6.30231"
                           zFract="0.28363231"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29309"
                           xFract="0.74562678"
                           y3="8.39921"
                           yFract="0.99516706"
                           z3="6.37638"
                           zFract="0.2869658"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24789"
                           xFract="0.5033045"
                           y3="0.01753"
                           yFract="0.00207701"
                           z3="4.17667"
                           zFract="0.18796895"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19765"
                           xFract="0.4973519"
                           y3="8.38957"
                           yFract="0.99402488"
                           z3="8.71036"
                           zFract="0.3920054"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32466"
                           xFract="0.7493673"
                           y3="2.2349"
                           yFract="0.26479858"
                           z3="4.19271"
                           zFract="0.18869082"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35968"
                           xFract="0.75351659"
                           y3="2.05252"
                           yFract="0.24318957"
                           z3="8.53233"
                           zFract="0.38399325"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03625"
                           xFract="0.00429502"
                           y3="6.32119"
                           yFract="0.74895616"
                           z3="6.33223"
                           zFract="0.28497885"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06885"
                           xFract="0.24512441"
                           y3="4.27097"
                           yFract="0.5060391"
                           z3="6.41948"
                           zFract="0.28890549"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34408"
                           xFract="0.98863507"
                           y3="4.18006"
                           yFract="0.49526777"
                           z3="4.28588"
                           zFract="0.19288389"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00422"
                           xFract="0.0005"
                           y3="4.22409"
                           yFract="0.5004846"
                           z3="8.48842"
                           zFract="0.3820171"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22493"
                           xFract="0.2636173"
                           y3="6.24898"
                           yFract="0.74040047"
                           z3="4.19238"
                           zFract="0.18867597"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17526"
                           xFract="0.25773223"
                           y3="6.21153"
                           yFract="0.73596327"
                           z3="8.80869"
                           zFract="0.39643069"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17677"
                           xFract="0.49487796"
                           y3="6.27824"
                           yFract="0.7438673"
                           z3="6.40909"
                           zFract="0.28843789"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35158"
                           xFract="0.75255687"
                           y3="4.25053"
                           yFract="0.5036173"
                           z3="6.4174"
                           zFract="0.28881188"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3030"
                           xFract="0.50983412"
                           y3="4.18095"
                           yFract="0.49537322"
                           z3="4.17966"
                           zFract="0.18810351"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23111"
                           xFract="0.50131635"
                           y3="4.20547"
                           yFract="0.49827844"
                           z3="8.74339"
                           zFract="0.3934919"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22762"
                           xFract="0.73786967"
                           y3="6.1897"
                           yFract="0.73337678"
                           z3="4.27873"
                           zFract="0.19256211"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34082"
                           xFract="0.75128199"
                           y3="6.33704"
                           yFract="0.75083412"
                           z3="8.4800"
                           zFract="0.38163816"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.35">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01296"
                           xFract="0.23850237"
                           y3="6.40806"
                           yFract="0.75924882"
                           z3="9.74322"
                           zFract="0.43848875"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.23995"
                           xFract="0.50236374"
                           y3="6.32418"
                           yFract="0.74931043"
                           z3="4.2248"
                           zFract="0.19013501"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.0990"
                           xFract="-0.01172986"
                           y3="6.29344"
                           yFract="0.74566825"
                           z3="8.4260"
                           zFract="0.37920792"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31715"
                           xFract="0.74847749"
                           y3="4.22373"
                           yFract="0.50044194"
                           z3="4.21489"
                           zFract="0.18968902"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32196"
                           xFract="0.74904739"
                           y3="6.30535"
                           yFract="0.74707938"
                           z3="6.33047"
                           zFract="0.28489964"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29987"
                           xFract="0.74643009"
                           y3="4.2015"
                           yFract="0.49780806"
                           z3="8.50118"
                           zFract="0.38259136"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42702"
                           xFract="0.99846209"
                           y3="2.12686"
                           yFract="0.25199763"
                           z3="4.22594"
                           zFract="0.19018632"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22796"
                           xFract="0.50094313"
                           y3="2.10156"
                           yFract="0.2490"
                           z3="4.19244"
                           zFract="0.18867867"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32856"
                           xFract="0.51286256"
                           y3="6.28035"
                           yFract="0.7441173"
                           z3="8.4587"
                           zFract="0.38067957"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31072"
                           xFract="0.74771564"
                           y3="-0.01952"
                           yFract="-0.0023128"
                           z3="8.44714"
                           zFract="0.38015932"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14257"
                           xFract="0.253859"
                           y3="2.11013"
                           yFract="0.2500154"
                           z3="6.29162"
                           zFract="0.28315122"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13793"
                           xFract="0.25330924"
                           y3="4.13587"
                           yFract="0.49003199"
                           z3="8.4491"
                           zFract="0.38024752"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12708"
                           xFract="0.2520237"
                           y3="6.34121"
                           yFract="0.7513282"
                           z3="6.18731"
                           zFract="0.2784568"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41127"
                           xFract="0.99659597"
                           y3="2.12629"
                           yFract="0.25193009"
                           z3="8.43024"
                           zFract="0.37939874"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40863"
                           xFract="0.99628318"
                           y3="4.24202"
                           yFract="0.502609"
                           z3="6.36287"
                           zFract="0.28635779"/>
                     <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="2.10698"
                           xFract="0.24964218"
                           y3="-0.0102"
                           yFract="-0.00120853"
                           z3="4.1912"
                           zFract="0.18862286"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23869"
                           xFract="0.50221445"
                           y3="4.21423"
                           yFract="0.49931635"
                           z3="6.38901"
                           zFract="0.2875342"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01092"
                           xFract="-0.00129384"
                           y3="6.35513"
                           yFract="0.75297749"
                           z3="4.19296"
                           zFract="0.18870207"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22406"
                           xFract="0.50048104"
                           y3="8.42324"
                           yFract="0.99801422"
                           z3="6.33659"
                           zFract="0.28517507"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31998"
                           xFract="0.7488128"
                           y3="8.4275"
                           yFract="0.99851896"
                           z3="4.22826"
                           zFract="0.19029073"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.27059"
                           xFract="0.50599408"
                           y3="2.12398"
                           yFract="0.2516564"
                           z3="8.52546"
                           zFract="0.38368407"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10553"
                           xFract="0.24947038"
                           y3="4.21607"
                           yFract="0.49953436"
                           z3="4.22463"
                           zFract="0.19012736"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00233"
                           xFract="-0.00027607"
                           y3="-0.00636"
                           yFract="-0.00075355"
                           z3="6.35783"
                           zFract="0.28613096"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15859"
                           xFract="0.25575711"
                           y3="0.13343"
                           yFract="0.01580924"
                           z3="8.44826"
                           zFract="0.38020972"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30408"
                           xFract="0.74692891"
                           y3="2.1157"
                           yFract="0.25067536"
                           z3="6.34067"
                           zFract="0.28535869"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0244"
                           xFract="0.002891"
                           y3="2.1320"
                           yFract="0.25260664"
                           z3="6.34262"
                           zFract="0.28544644"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14374"
                           xFract="0.25399763"
                           y3="-0.03869"
                           yFract="-0.00458412"
                           z3="6.36521"
                           zFract="0.2864631"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40294"
                           xFract="0.995609"
                           y3="0.06535"
                           yFract="0.00774289"
                           z3="4.25049"
                           zFract="0.19129118"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03696"
                           xFract="0.00437915"
                           y3="8.40131"
                           yFract="0.99541588"
                           z3="8.53908"
                           zFract="0.38429703"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11408"
                           xFract="0.25048341"
                           y3="2.17644"
                           yFract="0.25787204"
                           z3="4.22356"
                           zFract="0.19007921"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07592"
                           xFract="0.24596209"
                           y3="2.14668"
                           yFract="0.25434597"
                           z3="8.46733"
                           zFract="0.38106796"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20908"
                           xFract="0.49870616"
                           y3="2.13953"
                           yFract="0.25349882"
                           z3="6.30256"
                           zFract="0.28364356"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29327"
                           xFract="0.7456481"
                           y3="8.39908"
                           yFract="0.99515166"
                           z3="6.37614"
                           zFract="0.286955"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24786"
                           xFract="0.50330095"
                           y3="0.01728"
                           yFract="0.00204739"
                           z3="4.1771"
                           zFract="0.1879883"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19819"
                           xFract="0.49741588"
                           y3="8.38961"
                           yFract="0.99402962"
                           z3="8.71079"
                           zFract="0.39202475"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3245"
                           xFract="0.74934834"
                           y3="2.23511"
                           yFract="0.26482346"
                           z3="4.19309"
                           zFract="0.18870792"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35951"
                           xFract="0.75349645"
                           y3="2.05286"
                           yFract="0.24322986"
                           z3="8.53232"
                           zFract="0.3839928"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03634"
                           xFract="0.00430569"
                           y3="6.32115"
                           yFract="0.74895142"
                           z3="6.3326"
                           zFract="0.2849955"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06835"
                           xFract="0.24506517"
                           y3="4.27094"
                           yFract="0.50603555"
                           z3="6.4196"
                           zFract="0.28891089"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34378"
                           xFract="0.98859953"
                           y3="4.18031"
                           yFract="0.49529739"
                           z3="4.28572"
                           zFract="0.19287669"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00431"
                           xFract="0.00051066"
                           y3="4.22396"
                           yFract="0.50046919"
                           z3="8.48915"
                           zFract="0.38204995"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22513"
                           xFract="0.263641"
                           y3="6.24876"
                           yFract="0.74037441"
                           z3="4.19259"
                           zFract="0.18868542"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17496"
                           xFract="0.25769668"
                           y3="6.21196"
                           yFract="0.73601422"
                           z3="8.80976"
                           zFract="0.39647885"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17642"
                           xFract="0.49483649"
                           y3="6.27847"
                           yFract="0.74389455"
                           z3="6.40933"
                           zFract="0.28844869"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3519"
                           xFract="0.75259479"
                           y3="4.25056"
                           yFract="0.50362085"
                           z3="6.41728"
                           zFract="0.28880648"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30328"
                           xFract="0.5098673"
                           y3="4.18112"
                           yFract="0.49539336"
                           z3="4.17998"
                           zFract="0.18811791"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23076"
                           xFract="0.50127488"
                           y3="4.2055"
                           yFract="0.49828199"
                           z3="8.7438"
                           zFract="0.39351035"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22738"
                           xFract="0.73784123"
                           y3="6.18932"
                           yFract="0.73333175"
                           z3="4.27916"
                           zFract="0.19258146"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34101"
                           xFract="0.7513045"
                           y3="6.33663"
                           yFract="0.75078555"
                           z3="8.48048"
                           zFract="0.38165977"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.36">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01329"
                           xFract="0.23854147"
                           y3="6.40643"
                           yFract="0.75905569"
                           z3="9.74978"
                           zFract="0.43878398"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24051"
                           xFract="0.50243009"
                           y3="6.32394"
                           yFract="0.74928199"
                           z3="4.22503"
                           zFract="0.19014536"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09856"
                           xFract="-0.01167773"
                           y3="6.29331"
                           yFract="0.74565284"
                           z3="8.42686"
                           zFract="0.37924662"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31711"
                           xFract="0.74847275"
                           y3="4.22292"
                           yFract="0.50034597"
                           z3="4.21643"
                           zFract="0.18975833"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32198"
                           xFract="0.74904976"
                           y3="6.30503"
                           yFract="0.74704147"
                           z3="6.33091"
                           zFract="0.28491944"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29853"
                           xFract="0.74627133"
                           y3="4.2000"
                           yFract="0.49763033"
                           z3="8.50139"
                           zFract="0.38260081"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42653"
                           xFract="0.99840403"
                           y3="2.12748"
                           yFract="0.25207109"
                           z3="4.22735"
                           zFract="0.19024977"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22868"
                           xFract="0.50102844"
                           y3="2.10216"
                           yFract="0.24907109"
                           z3="4.19145"
                           zFract="0.18863411"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.33032"
                           xFract="0.51307109"
                           y3="6.28056"
                           yFract="0.74414218"
                           z3="8.46044"
                           zFract="0.38075788"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31082"
                           xFract="0.74772749"
                           y3="-0.01866"
                           yFract="-0.0022109"
                           z3="8.44633"
                           zFract="0.38012286"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14328"
                           xFract="0.25394313"
                           y3="2.11025"
                           yFract="0.25002962"
                           z3="6.29127"
                           zFract="0.28313546"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13804"
                           xFract="0.25332227"
                           y3="4.13807"
                           yFract="0.49029265"
                           z3="8.44969"
                           zFract="0.38027408"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12656"
                           xFract="0.25196209"
                           y3="6.34078"
                           yFract="0.75127725"
                           z3="6.1879"
                           zFract="0.27848335"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41029"
                           xFract="0.99647986"
                           y3="2.12598"
                           yFract="0.25189336"
                           z3="8.43046"
                           zFract="0.37940864"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40893"
                           xFract="0.99631872"
                           y3="4.24268"
                           yFract="0.5026872"
                           z3="6.36402"
                           zFract="0.28640954"/>
                     <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="2.10837"
                           xFract="0.24980687"
                           y3="-0.00921"
                           yFract="-0.00109123"
                           z3="4.19091"
                           zFract="0.18860981"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23756"
                           xFract="0.50208057"
                           y3="4.21491"
                           yFract="0.49939692"
                           z3="6.3912"
                           zFract="0.28763276"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01106"
                           xFract="-0.00131043"
                           y3="6.35526"
                           yFract="0.75299289"
                           z3="4.19151"
                           zFract="0.18863681"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22457"
                           xFract="0.50054147"
                           y3="8.42328"
                           yFract="0.99801896"
                           z3="6.33799"
                           zFract="0.28523807"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31926"
                           xFract="0.74872749"
                           y3="8.42758"
                           yFract="0.99852844"
                           z3="4.22871"
                           zFract="0.19031098"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.27189"
                           xFract="0.5061481"
                           y3="2.12312"
                           yFract="0.2515545"
                           z3="8.52553"
                           zFract="0.38368722"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10624"
                           xFract="0.2495545"
                           y3="4.21586"
                           yFract="0.49950948"
                           z3="4.22562"
                           zFract="0.19017192"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00185"
                           xFract="-0.00021919"
                           y3="-0.00745"
                           yFract="-0.0008827"
                           z3="6.35695"
                           zFract="0.28609136"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15877"
                           xFract="0.25577844"
                           y3="0.13395"
                           yFract="0.01587085"
                           z3="8.44808"
                           zFract="0.38020162"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30411"
                           xFract="0.74693246"
                           y3="2.11604"
                           yFract="0.25071564"
                           z3="6.33975"
                           zFract="0.28531728"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02506"
                           xFract="0.00296919"
                           y3="2.13176"
                           yFract="0.2525782"
                           z3="6.34329"
                           zFract="0.2854766"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14253"
                           xFract="0.25385427"
                           y3="-0.03872"
                           yFract="-0.00458768"
                           z3="6.3659"
                           zFract="0.28649415"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40317"
                           xFract="0.99563626"
                           y3="0.06561"
                           yFract="0.0077737"
                           z3="4.24949"
                           zFract="0.19124617"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03544"
                           xFract="0.00419905"
                           y3="8.40079"
                           yFract="0.99535427"
                           z3="8.54038"
                           zFract="0.38435554"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11455"
                           xFract="0.2505391"
                           y3="2.17699"
                           yFract="0.2579372"
                           z3="4.22443"
                           zFract="0.19011836"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07603"
                           xFract="0.24597512"
                           y3="2.14344"
                           yFract="0.25396209"
                           z3="8.47041"
                           zFract="0.38120657"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20859"
                           xFract="0.4986481"
                           y3="2.1391"
                           yFract="0.25344787"
                           z3="6.30331"
                           zFract="0.28367732"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29383"
                           xFract="0.74571445"
                           y3="8.39868"
                           yFract="0.99510427"
                           z3="6.37541"
                           zFract="0.28692214"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24778"
                           xFract="0.50329147"
                           y3="0.01651"
                           yFract="0.00195616"
                           z3="4.17837"
                           zFract="0.18804545"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19982"
                           xFract="0.497609"
                           y3="8.38973"
                           yFract="0.99404384"
                           z3="8.7121"
                           zFract="0.39208371"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32403"
                           xFract="0.74929265"
                           y3="2.23575"
                           yFract="0.26489929"
                           z3="4.19421"
                           zFract="0.18875833"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3590"
                           xFract="0.75343602"
                           y3="2.05389"
                           yFract="0.2433519"
                           z3="8.53229"
                           zFract="0.38399145"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03659"
                           xFract="0.00433531"
                           y3="6.32102"
                           yFract="0.74893602"
                           z3="6.33372"
                           zFract="0.2850459"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06685"
                           xFract="0.24488744"
                           y3="4.27082"
                           yFract="0.50602133"
                           z3="6.41997"
                           zFract="0.28892754"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34289"
                           xFract="0.98849408"
                           y3="4.18105"
                           yFract="0.49538507"
                           z3="4.28522"
                           zFract="0.19285419"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00458"
                           xFract="0.00054265"
                           y3="4.2236"
                           yFract="0.50042654"
                           z3="8.49134"
                           zFract="0.38214851"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22576"
                           xFract="0.26371564"
                           y3="6.24812"
                           yFract="0.74029858"
                           z3="4.19322"
                           zFract="0.18871377"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17404"
                           xFract="0.25758768"
                           y3="6.21324"
                           yFract="0.73616588"
                           z3="8.81296"
                           zFract="0.39662286"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17536"
                           xFract="0.4947109"
                           y3="6.27915"
                           yFract="0.74397512"
                           z3="6.41005"
                           zFract="0.2884811"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35286"
                           xFract="0.75270853"
                           y3="4.25064"
                           yFract="0.50363033"
                           z3="6.41694"
                           zFract="0.28879118"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30409"
                           xFract="0.50996327"
                           y3="4.18163"
                           yFract="0.49545379"
                           z3="4.18093"
                           zFract="0.18816067"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22972"
                           xFract="0.50115166"
                           y3="4.20557"
                           yFract="0.49829028"
                           z3="8.74502"
                           zFract="0.39356526"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22667"
                           xFract="0.73775711"
                           y3="6.18819"
                           yFract="0.73319787"
                           z3="4.28045"
                           zFract="0.19263951"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34158"
                           xFract="0.75137204"
                           y3="6.33543"
                           yFract="0.75064336"
                           z3="8.48192"
                           zFract="0.38172457"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.37">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01394"
                           xFract="0.23861848"
                           y3="6.40315"
                           yFract="0.75866706"
                           z3="9.76291"
                           zFract="0.43937489"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24164"
                           xFract="0.50256398"
                           y3="6.32348"
                           yFract="0.74922749"
                           z3="4.2255"
                           zFract="0.19016652"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09767"
                           xFract="-0.01157227"
                           y3="6.29305"
                           yFract="0.74562204"
                           z3="8.42856"
                           zFract="0.37932313"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31702"
                           xFract="0.74846209"
                           y3="4.22131"
                           yFract="0.50015521"
                           z3="4.21952"
                           zFract="0.18989739"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32202"
                           xFract="0.7490545"
                           y3="6.30438"
                           yFract="0.74696445"
                           z3="6.33181"
                           zFract="0.28495995"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29585"
                           xFract="0.74595379"
                           y3="4.1970"
                           yFract="0.49727488"
                           z3="8.50182"
                           zFract="0.38262016"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42555"
                           xFract="0.99828791"
                           y3="2.12872"
                           yFract="0.25221801"
                           z3="4.23017"
                           zFract="0.19037669"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.23013"
                           xFract="0.50120024"
                           y3="2.10336"
                           yFract="0.24921327"
                           z3="4.18946"
                           zFract="0.18854455"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.33386"
                           xFract="0.51349052"
                           y3="6.28097"
                           yFract="0.74419076"
                           z3="8.46393"
                           zFract="0.38091494"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31102"
                           xFract="0.74775118"
                           y3="-0.01693"
                           yFract="-0.00200592"
                           z3="8.44471"
                           zFract="0.38004995"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14469"
                           xFract="0.25411019"
                           y3="2.11049"
                           yFract="0.25005806"
                           z3="6.29056"
                           zFract="0.28310351"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13826"
                           xFract="0.25334834"
                           y3="4.14246"
                           yFract="0.4908128"
                           z3="8.45088"
                           zFract="0.38032763"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12552"
                           xFract="0.25183886"
                           y3="6.33992"
                           yFract="0.75117536"
                           z3="6.18907"
                           zFract="0.278536"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40831"
                           xFract="0.99624526"
                           y3="2.12535"
                           yFract="0.25181872"
                           z3="8.43089"
                           zFract="0.37942799"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40952"
                           xFract="0.99638863"
                           y3="4.24398"
                           yFract="0.50284123"
                           z3="6.36634"
                           zFract="0.28651395"/>
                     <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="2.11113"
                           xFract="0.25013389"
                           y3="-0.00723"
                           yFract="-0.00085664"
                           z3="4.19033"
                           zFract="0.18858371"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23531"
                           xFract="0.50181398"
                           y3="4.21628"
                           yFract="0.49955924"
                           z3="6.39559"
                           zFract="0.28783033"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01133"
                           xFract="-0.00134242"
                           y3="6.35551"
                           yFract="0.75302251"
                           z3="4.1886"
                           zFract="0.18850585"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2256"
                           xFract="0.50066351"
                           y3="8.42336"
                           yFract="0.99802844"
                           z3="6.34079"
                           zFract="0.28536409"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31782"
                           xFract="0.74855687"
                           y3="8.42772"
                           yFract="0.99854502"
                           z3="4.22962"
                           zFract="0.19035194"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.27448"
                           xFract="0.50645498"
                           y3="2.12141"
                           yFract="0.2513519"
                           z3="8.52567"
                           zFract="0.38369352"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10765"
                           xFract="0.24972156"
                           y3="4.21543"
                           yFract="0.49945853"
                           z3="4.22761"
                           zFract="0.19026148"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00091"
                           xFract="-0.00010782"
                           y3="-0.00963"
                           yFract="-0.001141"
                           z3="6.35519"
                           zFract="0.28601215"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15914"
                           xFract="0.25582227"
                           y3="0.13497"
                           yFract="0.01599171"
                           z3="8.44773"
                           zFract="0.38018587"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30417"
                           xFract="0.74693957"
                           y3="2.11673"
                           yFract="0.25079739"
                           z3="6.33793"
                           zFract="0.28523537"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02637"
                           xFract="0.00312441"
                           y3="2.13127"
                           yFract="0.25252014"
                           z3="6.34462"
                           zFract="0.28553645"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14012"
                           xFract="0.25356872"
                           y3="-0.03877"
                           yFract="-0.0045936"
                           z3="6.36727"
                           zFract="0.28655581"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40362"
                           xFract="0.99568957"
                           y3="0.06613"
                           yFract="0.00783531"
                           z3="4.24748"
                           zFract="0.19115572"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03239"
                           xFract="0.00383768"
                           y3="8.39974"
                           yFract="0.99522986"
                           z3="8.54299"
                           zFract="0.384473"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11549"
                           xFract="0.25065047"
                           y3="2.1781"
                           yFract="0.25806872"
                           z3="4.22618"
                           zFract="0.19019712"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07625"
                           xFract="0.24600118"
                           y3="2.13694"
                           yFract="0.25319194"
                           z3="8.47658"
                           zFract="0.38148425"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20761"
                           xFract="0.49853199"
                           y3="2.13825"
                           yFract="0.25334716"
                           z3="6.30481"
                           zFract="0.28374482"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29495"
                           xFract="0.74584716"
                           y3="8.39789"
                           yFract="0.99501066"
                           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="4.24761"
                           xFract="0.50327133"
                           y3="0.01496"
                           yFract="0.00177251"
                           z3="4.18092"
                           zFract="0.18816022"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20309"
                           xFract="0.49799645"
                           y3="8.38997"
                           yFract="0.99407227"
                           z3="8.71471"
                           zFract="0.39220117"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32307"
                           xFract="0.74917891"
                           y3="2.23704"
                           yFract="0.26505213"
                           z3="4.19646"
                           zFract="0.18885959"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3580"
                           xFract="0.75331754"
                           y3="2.05596"
                           yFract="0.24359716"
                           z3="8.53223"
                           zFract="0.38398875"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03711"
                           xFract="0.00439692"
                           y3="6.32077"
                           yFract="0.7489064"
                           z3="6.33595"
                           zFract="0.28514626"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06383"
                           xFract="0.24452962"
                           y3="4.27059"
                           yFract="0.50599408"
                           z3="6.42071"
                           zFract="0.28896085"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34111"
                           xFract="0.98828318"
                           y3="4.18252"
                           yFract="0.49555924"
                           z3="4.28422"
                           zFract="0.19280918"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00512"
                           xFract="0.00060664"
                           y3="4.22286"
                           yFract="0.50033886"
                           z3="8.49572"
                           zFract="0.38234563"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22702"
                           xFract="0.26386493"
                           y3="6.24684"
                           yFract="0.74014692"
                           z3="4.19447"
                           zFract="0.18877003"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17221"
                           xFract="0.25737085"
                           y3="6.21581"
                           yFract="0.73647038"
                           z3="8.81937"
                           zFract="0.39691134"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17323"
                           xFract="0.49445853"
                           y3="6.28052"
                           yFract="0.74413744"
                           z3="6.4115"
                           zFract="0.28854635"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35478"
                           xFract="0.75293602"
                           y3="4.2508"
                           yFract="0.50364929"
                           z3="6.41624"
                           zFract="0.28875968"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30573"
                           xFract="0.51015758"
                           y3="4.18266"
                           yFract="0.49557583"
                           z3="4.18282"
                           zFract="0.18824572"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22763"
                           xFract="0.50090403"
                           y3="4.20572"
                           yFract="0.49830806"
                           z3="8.74746"
                           zFract="0.39367507"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22523"
                           xFract="0.73758649"
                           y3="6.18592"
                           yFract="0.73292891"
                           z3="4.28304"
                           zFract="0.19275608"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34272"
                           xFract="0.75150711"
                           y3="6.33302"
                           yFract="0.75035782"
                           z3="8.4848"
                           zFract="0.38185419"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.38">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01369"
                           xFract="0.23858886"
                           y3="6.4044"
                           yFract="0.75881517"
                           z3="9.75789"
                           zFract="0.43914896"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2412"
                           xFract="0.50251185"
                           y3="6.32365"
                           yFract="0.74924763"
                           z3="4.22532"
                           zFract="0.19015842"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09801"
                           xFract="-0.01161256"
                           y3="6.29315"
                           yFract="0.74563389"
                           z3="8.42791"
                           zFract="0.37929388"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31706"
                           xFract="0.74846682"
                           y3="4.22193"
                           yFract="0.50022867"
                           z3="4.21834"
                           zFract="0.18984428"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.3220"
                           xFract="0.74905213"
                           y3="6.30462"
                           yFract="0.74699289"
                           z3="6.33147"
                           zFract="0.28494464"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29687"
                           xFract="0.74607464"
                           y3="4.19815"
                           yFract="0.49741114"
                           z3="8.50165"
                           zFract="0.38261251"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42592"
                           xFract="0.99833175"
                           y3="2.12825"
                           yFract="0.25216232"
                           z3="4.22909"
                           zFract="0.19032808"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22958"
                           xFract="0.50113507"
                           y3="2.1029"
                           yFract="0.24915877"
                           z3="4.19022"
                           zFract="0.18857876"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.33251"
                           xFract="0.51333057"
                           y3="6.28081"
                           yFract="0.7441718"
                           z3="8.46259"
                           zFract="0.38085464"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31094"
                           xFract="0.74774171"
                           y3="-0.01759"
                           yFract="-0.00208412"
                           z3="8.44533"
                           zFract="0.38007786"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14415"
                           xFract="0.25404621"
                           y3="2.1104"
                           yFract="0.25004739"
                           z3="6.29083"
                           zFract="0.28311566"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13818"
                           xFract="0.25333886"
                           y3="4.14078"
                           yFract="0.49061374"
                           z3="8.45042"
                           zFract="0.38030693"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12591"
                           xFract="0.25188507"
                           y3="6.34025"
                           yFract="0.75121445"
                           z3="6.18862"
                           zFract="0.27851575"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40907"
                           xFract="0.99633531"
                           y3="2.12559"
                           yFract="0.25184716"
                           z3="8.43073"
                           zFract="0.37942079"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40929"
                           xFract="0.99636137"
                           y3="4.24348"
                           yFract="0.50278199"
                           z3="6.36545"
                           zFract="0.2864739"/>
                     <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="2.11008"
                           xFract="0.25000948"
                           y3="-0.00798"
                           yFract="-0.0009455"
                           z3="4.19055"
                           zFract="0.18859361"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23617"
                           xFract="0.50191588"
                           y3="4.21576"
                           yFract="0.49949763"
                           z3="6.39391"
                           zFract="0.28775473"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01123"
                           xFract="-0.00133057"
                           y3="6.35541"
                           yFract="0.75301066"
                           z3="4.18971"
                           zFract="0.18855581"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22521"
                           xFract="0.5006173"
                           y3="8.42333"
                           yFract="0.99802488"
                           z3="6.33972"
                           zFract="0.28531593"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31837"
                           xFract="0.74862204"
                           y3="8.42767"
                           yFract="0.9985391"
                           z3="4.22927"
                           zFract="0.19033618"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.27349"
                           xFract="0.50633768"
                           y3="2.12207"
                           yFract="0.25143009"
                           z3="8.52561"
                           zFract="0.38369082"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10711"
                           xFract="0.24965758"
                           y3="4.21559"
                           yFract="0.49947749"
                           z3="4.22685"
                           zFract="0.19022727"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00127"
                           xFract="-0.00015047"
                           y3="-0.00879"
                           yFract="-0.00104147"
                           z3="6.35586"
                           zFract="0.2860423"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1590"
                           xFract="0.25580569"
                           y3="0.13458"
                           yFract="0.0159455"
                           z3="8.44786"
                           zFract="0.38019172"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30414"
                           xFract="0.74693602"
                           y3="2.11647"
                           yFract="0.25076659"
                           z3="6.33863"
                           zFract="0.28526688"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02587"
                           xFract="0.00306517"
                           y3="2.13146"
                           yFract="0.25254265"
                           z3="6.34411"
                           zFract="0.2855135"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14104"
                           xFract="0.25367773"
                           y3="-0.03875"
                           yFract="-0.00459123"
                           z3="6.36675"
                           zFract="0.2865324"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40345"
                           xFract="0.99566943"
                           y3="0.06593"
                           yFract="0.00781161"
                           z3="4.24825"
                           zFract="0.19119037"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03355"
                           xFract="0.00397512"
                           y3="8.40014"
                           yFract="0.99527725"
                           z3="8.54199"
                           zFract="0.38442799"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11513"
                           xFract="0.25060782"
                           y3="2.17767"
                           yFract="0.25801777"
                           z3="4.22551"
                           zFract="0.19016697"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07616"
                           xFract="0.24599052"
                           y3="2.13943"
                           yFract="0.25348697"
                           z3="8.47422"
                           zFract="0.38137804"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20799"
                           xFract="0.49857701"
                           y3="2.13858"
                           yFract="0.25338626"
                           z3="6.30424"
                           zFract="0.28371917"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29452"
                           xFract="0.74579621"
                           y3="8.39819"
                           yFract="0.99504621"
                           z3="6.3745"
                           zFract="0.28688119"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24768"
                           xFract="0.50327962"
                           y3="0.01555"
                           yFract="0.00184242"
                           z3="4.17994"
                           zFract="0.18811611"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20184"
                           xFract="0.49784834"
                           y3="8.38988"
                           yFract="0.99406161"
                           z3="8.71371"
                           zFract="0.39215617"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32344"
                           xFract="0.74922275"
                           y3="2.23655"
                           yFract="0.26499408"
                           z3="4.1956"
                           zFract="0.18882088"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35838"
                           xFract="0.75336256"
                           y3="2.05517"
                           yFract="0.24350355"
                           z3="8.53226"
                           zFract="0.3839901"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03691"
                           xFract="0.00437322"
                           y3="6.32086"
                           yFract="0.74891706"
                           z3="6.33509"
                           zFract="0.28510756"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06498"
                           xFract="0.24466588"
                           y3="4.27068"
                           yFract="0.50600474"
                           z3="6.42043"
                           zFract="0.28894824"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34179"
                           xFract="0.98836374"
                           y3="4.18196"
                           yFract="0.49549289"
                           z3="4.2846"
                           zFract="0.19282628"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00491"
                           xFract="0.00058175"
                           y3="4.22314"
                           yFract="0.50037204"
                           z3="8.49405"
                           zFract="0.38227048"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22654"
                           xFract="0.26380806"
                           y3="6.24733"
                           yFract="0.74020498"
                           z3="4.19399"
                           zFract="0.18874842"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17291"
                           xFract="0.25745379"
                           y3="6.21483"
                           yFract="0.73635427"
                           z3="8.81692"
                           zFract="0.39680108"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17404"
                           xFract="0.4945545"
                           y3="6.2800"
                           yFract="0.74407583"
                           z3="6.41095"
                           zFract="0.2885216"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35404"
                           xFract="0.75284834"
                           y3="4.25074"
                           yFract="0.50364218"
                           z3="6.41651"
                           zFract="0.28877183"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3051"
                           xFract="0.51008294"
                           y3="4.18226"
                           yFract="0.49552844"
                           z3="4.1821"
                           zFract="0.18821332"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22843"
                           xFract="0.50099882"
                           y3="4.20566"
                           yFract="0.49830095"
                           z3="8.74653"
                           zFract="0.39363321"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22578"
                           xFract="0.73765166"
                           y3="6.18679"
                           yFract="0.73303199"
                           z3="4.28205"
                           zFract="0.19271152"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34229"
                           xFract="0.75145616"
                           y3="6.33394"
                           yFract="0.75046682"
                           z3="8.4837"
                           zFract="0.38180468"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.39">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.0136"
                           xFract="0.2385782"
                           y3="6.40485"
                           yFract="0.75886848"
                           z3="9.75609"
                           zFract="0.43906796"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24105"
                           xFract="0.50249408"
                           y3="6.32372"
                           yFract="0.74925592"
                           z3="4.22526"
                           zFract="0.19015572"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09813"
                           xFract="-0.01162678"
                           y3="6.29319"
                           yFract="0.74563863"
                           z3="8.42768"
                           zFract="0.37928353"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31707"
                           xFract="0.74846801"
                           y3="4.22215"
                           yFract="0.50025474"
                           z3="4.21792"
                           zFract="0.18982538"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.3220"
                           xFract="0.74905213"
                           y3="6.30471"
                           yFract="0.74700355"
                           z3="6.33134"
                           zFract="0.28493879"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29724"
                           xFract="0.74611848"
                           y3="4.19856"
                           yFract="0.49745972"
                           z3="8.5016"
                           zFract="0.38261026"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42606"
                           xFract="0.99834834"
                           y3="2.12808"
                           yFract="0.25214218"
                           z3="4.2287"
                           zFract="0.19031053"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22938"
                           xFract="0.50111137"
                           y3="2.10274"
                           yFract="0.24913981"
                           z3="4.19049"
                           zFract="0.18859091"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.33202"
                           xFract="0.51327251"
                           y3="6.28076"
                           yFract="0.74416588"
                           z3="8.46211"
                           zFract="0.38083303"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31091"
                           xFract="0.74773815"
                           y3="-0.01783"
                           yFract="-0.00211256"
                           z3="8.44555"
                           zFract="0.38008776"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14396"
                           xFract="0.2540237"
                           y3="2.11036"
                           yFract="0.25004265"
                           z3="6.29093"
                           zFract="0.28312016"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13815"
                           xFract="0.25333531"
                           y3="4.14018"
                           yFract="0.49054265"
                           z3="8.45026"
                           zFract="0.38029973"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12606"
                           xFract="0.25190284"
                           y3="6.34037"
                           yFract="0.75122867"
                           z3="6.18846"
                           zFract="0.27850855"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40934"
                           xFract="0.9963673"
                           y3="2.12568"
                           yFract="0.25185782"
                           z3="8.43067"
                           zFract="0.37941809"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40921"
                           xFract="0.9963519"
                           y3="4.24331"
                           yFract="0.50276185"
                           z3="6.36514"
                           zFract="0.28645995"/>
                     <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="2.1097"
                           xFract="0.24996445"
                           y3="-0.00826"
                           yFract="-0.00097867"
                           z3="4.19063"
                           zFract="0.18859721"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23648"
                           xFract="0.50195261"
                           y3="4.21557"
                           yFract="0.49947512"
                           z3="6.39331"
                           zFract="0.28772772"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01119"
                           xFract="-0.00132583"
                           y3="6.35538"
                           yFract="0.75300711"
                           z3="4.19011"
                           zFract="0.18857381"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22507"
                           xFract="0.50060071"
                           y3="8.42332"
                           yFract="0.9980237"
                           z3="6.33934"
                           zFract="0.28529883"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31857"
                           xFract="0.74864573"
                           y3="8.42765"
                           yFract="0.99853673"
                           z3="4.22915"
                           zFract="0.19033078"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.27313"
                           xFract="0.50629502"
                           y3="2.1223"
                           yFract="0.25145735"
                           z3="8.5256"
                           zFract="0.38369037"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10692"
                           xFract="0.24963507"
                           y3="4.21565"
                           yFract="0.4994846"
                           z3="4.22657"
                           zFract="0.19021467"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.0014"
                           xFract="-0.00016588"
                           y3="-0.00849"
                           yFract="-0.00100592"
                           z3="6.35611"
                           zFract="0.28605356"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15895"
                           xFract="0.25579976"
                           y3="0.13444"
                           yFract="0.01592891"
                           z3="8.44791"
                           zFract="0.38019397"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30414"
                           xFract="0.74693602"
                           y3="2.11637"
                           yFract="0.25075474"
                           z3="6.33888"
                           zFract="0.28527813"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02569"
                           xFract="0.00304384"
                           y3="2.13153"
                           yFract="0.25255095"
                           z3="6.34393"
                           zFract="0.2855054"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14137"
                           xFract="0.25371682"
                           y3="-0.03874"
                           yFract="-0.00459005"
                           z3="6.36656"
                           zFract="0.28652385"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40338"
                           xFract="0.99566114"
                           y3="0.06586"
                           yFract="0.00780332"
                           z3="4.24853"
                           zFract="0.19120297"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03397"
                           xFract="0.00402488"
                           y3="8.40028"
                           yFract="0.99529384"
                           z3="8.54164"
                           zFract="0.38441224"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1150"
                           xFract="0.25059242"
                           y3="2.17752"
                           yFract="0.2580"
                           z3="4.22527"
                           zFract="0.19015617"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07613"
                           xFract="0.24598697"
                           y3="2.14032"
                           yFract="0.25359242"
                           z3="8.47337"
                           zFract="0.38133978"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20812"
                           xFract="0.49859242"
                           y3="2.13869"
                           yFract="0.25339929"
                           z3="6.30403"
                           zFract="0.28370972"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29437"
                           xFract="0.74577844"
                           y3="8.3983"
                           yFract="0.99505924"
                           z3="6.37471"
                           zFract="0.28689064"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2477"
                           xFract="0.50328199"
                           y3="0.01576"
                           yFract="0.0018673"
                           z3="4.17959"
                           zFract="0.18810036"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20139"
                           xFract="0.49779502"
                           y3="8.38985"
                           yFract="0.99405806"
                           z3="8.71335"
                           zFract="0.39213996"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32357"
                           xFract="0.74923815"
                           y3="2.23637"
                           yFract="0.26497275"
                           z3="4.19529"
                           zFract="0.18880693"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35852"
                           xFract="0.75337915"
                           y3="2.05488"
                           yFract="0.24346919"
                           z3="8.53226"
                           zFract="0.3839901"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03684"
                           xFract="0.00436493"
                           y3="6.3209"
                           yFract="0.7489218"
                           z3="6.33479"
                           zFract="0.28509406"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0654"
                           xFract="0.24471564"
                           y3="4.27071"
                           yFract="0.50600829"
                           z3="6.42033"
                           zFract="0.28894374"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34203"
                           xFract="0.98839218"
                           y3="4.18176"
                           yFract="0.49546919"
                           z3="4.28474"
                           zFract="0.19283258"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00484"
                           xFract="0.00057346"
                           y3="4.22324"
                           yFract="0.50038389"
                           z3="8.49345"
                           zFract="0.38224347"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22637"
                           xFract="0.26378791"
                           y3="6.24751"
                           yFract="0.7402263"
                           z3="4.19382"
                           zFract="0.18874077"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17316"
                           xFract="0.25748341"
                           y3="6.21447"
                           yFract="0.73631161"
                           z3="8.81604"
                           zFract="0.39676148"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17433"
                           xFract="0.49458886"
                           y3="6.27981"
                           yFract="0.74405332"
                           z3="6.41075"
                           zFract="0.2885126"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35378"
                           xFract="0.75281754"
                           y3="4.25072"
                           yFract="0.50363981"
                           z3="6.4166"
                           zFract="0.28877588"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30488"
                           xFract="0.51005687"
                           y3="4.18212"
                           yFract="0.49551185"
                           z3="4.18184"
                           zFract="0.18820162"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22872"
                           xFract="0.50103318"
                           y3="4.20564"
                           yFract="0.49829858"
                           z3="8.74619"
                           zFract="0.39361791"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22598"
                           xFract="0.73767536"
                           y3="6.1871"
                           yFract="0.73306872"
                           z3="4.2817"
                           zFract="0.19269577"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34213"
                           xFract="0.7514372"
                           y3="6.33427"
                           yFract="0.75050592"
                           z3="8.4833"
                           zFract="0.38178668"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.40">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01358"
                           xFract="0.23857583"
                           y3="6.40484"
                           yFract="0.7588673"
                           z3="9.75697"
                           zFract="0.43910756"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24104"
                           xFract="0.50249289"
                           y3="6.32369"
                           yFract="0.74925237"
                           z3="4.22534"
                           zFract="0.19015932"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09821"
                           xFract="-0.01163626"
                           y3="6.29326"
                           yFract="0.74564692"
                           z3="8.42795"
                           zFract="0.37929568"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3170"
                           xFract="0.74845972"
                           y3="4.22221"
                           yFract="0.50026185"
                           z3="4.21783"
                           zFract="0.18982133"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32195"
                           xFract="0.74904621"
                           y3="6.30469"
                           yFract="0.74700118"
                           z3="6.33138"
                           zFract="0.28494059"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.2975"
                           xFract="0.74614929"
                           y3="4.19868"
                           yFract="0.49747393"
                           z3="8.50164"
                           zFract="0.38261206"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42626"
                           xFract="0.99837204"
                           y3="2.12805"
                           yFract="0.25213863"
                           z3="4.2285"
                           zFract="0.19030153"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22916"
                           xFract="0.50108531"
                           y3="2.10249"
                           yFract="0.24911019"
                           z3="4.19088"
                           zFract="0.18860846"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.33157"
                           xFract="0.51321919"
                           y3="6.28073"
                           yFract="0.74416232"
                           z3="8.46201"
                           zFract="0.38082853"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31124"
                           xFract="0.74777725"
                           y3="-0.01797"
                           yFract="-0.00212915"
                           z3="8.44568"
                           zFract="0.38009361"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14377"
                           xFract="0.25400118"
                           y3="2.11027"
                           yFract="0.25003199"
                           z3="6.29117"
                           zFract="0.28313096"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13801"
                           xFract="0.25331872"
                           y3="4.13974"
                           yFract="0.49049052"
                           z3="8.45042"
                           zFract="0.38030693"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12601"
                           xFract="0.25189692"
                           y3="6.34047"
                           yFract="0.75124052"
                           z3="6.18815"
                           zFract="0.2784946"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.4095"
                           xFract="0.99638626"
                           y3="2.12558"
                           yFract="0.25184597"
                           z3="8.43087"
                           zFract="0.37942709"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40912"
                           xFract="0.99634123"
                           y3="4.24315"
                           yFract="0.50274289"
                           z3="6.36514"
                           zFract="0.28645995"/>
                     <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="2.10967"
                           xFract="0.2499609"
                           y3="-0.00834"
                           yFract="-0.00098815"
                           z3="4.19063"
                           zFract="0.18859721"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23664"
                           xFract="0.50197156"
                           y3="4.21555"
                           yFract="0.49947275"
                           z3="6.39329"
                           zFract="0.28772682"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01109"
                           xFract="-0.00131398"
                           y3="6.35541"
                           yFract="0.75301066"
                           z3="4.1902"
                           zFract="0.18857786"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22495"
                           xFract="0.50058649"
                           y3="8.42327"
                           yFract="0.99801777"
                           z3="6.33931"
                           zFract="0.28529748"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31868"
                           xFract="0.74865877"
                           y3="8.42753"
                           yFract="0.99852251"
                           z3="4.22906"
                           zFract="0.19032673"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.27287"
                           xFract="0.50626422"
                           y3="2.12233"
                           yFract="0.2514609"
                           z3="8.52577"
                           zFract="0.38369802"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1069"
                           xFract="0.2496327"
                           y3="4.21575"
                           yFract="0.49949645"
                           z3="4.22645"
                           zFract="0.19020927"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00149"
                           xFract="-0.00017654"
                           y3="-0.00835"
                           yFract="-0.00098934"
                           z3="6.35628"
                           zFract="0.28606121"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15881"
                           xFract="0.25578318"
                           y3="0.1341"
                           yFract="0.01588863"
                           z3="8.44814"
                           zFract="0.38020432"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30417"
                           xFract="0.74693957"
                           y3="2.11639"
                           yFract="0.25075711"
                           z3="6.33904"
                           zFract="0.28528533"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0257"
                           xFract="0.00304502"
                           y3="2.13154"
                           yFract="0.25255213"
                           z3="6.3440"
                           zFract="0.28550855"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14153"
                           xFract="0.25373578"
                           y3="-0.03866"
                           yFract="-0.00458057"
                           z3="6.36672"
                           zFract="0.28653105"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40341"
                           xFract="0.99566469"
                           y3="0.06588"
                           yFract="0.00780569"
                           z3="4.24857"
                           zFract="0.19120477"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03391"
                           xFract="0.00401777"
                           y3="8.40039"
                           yFract="0.99530687"
                           z3="8.54139"
                           zFract="0.38440099"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11503"
                           xFract="0.25059597"
                           y3="2.17752"
                           yFract="0.2580"
                           z3="4.22503"
                           zFract="0.19014536"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07619"
                           xFract="0.24599408"
                           y3="2.1410"
                           yFract="0.25367299"
                           z3="8.47306"
                           zFract="0.38132583"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20813"
                           xFract="0.4985936"
                           y3="2.13873"
                           yFract="0.25340403"
                           z3="6.30405"
                           zFract="0.28371062"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29438"
                           xFract="0.74577962"
                           y3="8.39828"
                           yFract="0.99505687"
                           z3="6.37473"
                           zFract="0.28689154"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24766"
                           xFract="0.50327725"
                           y3="0.01589"
                           yFract="0.0018827"
                           z3="4.17946"
                           zFract="0.18809451"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20143"
                           xFract="0.49779976"
                           y3="8.38972"
                           yFract="0.99404265"
                           z3="8.71324"
                           zFract="0.39213501"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3236"
                           xFract="0.74924171"
                           y3="2.23642"
                           yFract="0.26497867"
                           z3="4.19509"
                           zFract="0.18879793"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35845"
                           xFract="0.75337085"
                           y3="2.05485"
                           yFract="0.24346564"
                           z3="8.53216"
                           zFract="0.3839856"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0368"
                           xFract="0.00436019"
                           y3="6.32086"
                           yFract="0.74891706"
                           z3="6.33479"
                           zFract="0.28509406"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06549"
                           xFract="0.2447263"
                           y3="4.27056"
                           yFract="0.50599052"
                           z3="6.42089"
                           zFract="0.28896895"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34203"
                           xFract="0.98839218"
                           y3="4.18172"
                           yFract="0.49546445"
                           z3="4.28495"
                           zFract="0.19284203"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0049"
                           xFract="0.00058057"
                           y3="4.22327"
                           yFract="0.50038744"
                           z3="8.49328"
                           zFract="0.38223582"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22623"
                           xFract="0.26377133"
                           y3="6.24759"
                           yFract="0.74023578"
                           z3="4.19381"
                           zFract="0.18874032"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17348"
                           xFract="0.25752133"
                           y3="6.21438"
                           yFract="0.73630095"
                           z3="8.81534"
                           zFract="0.39672997"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17458"
                           xFract="0.49461848"
                           y3="6.27981"
                           yFract="0.74405332"
                           z3="6.41125"
                           zFract="0.2885351"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35362"
                           xFract="0.75279858"
                           y3="4.25075"
                           yFract="0.50364336"
                           z3="6.41681"
                           zFract="0.28878533"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30494"
                           xFract="0.51006398"
                           y3="4.18211"
                           yFract="0.49551066"
                           z3="4.18183"
                           zFract="0.18820117"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22859"
                           xFract="0.50101777"
                           y3="4.20583"
                           yFract="0.49832109"
                           z3="8.74609"
                           zFract="0.39361341"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22606"
                           xFract="0.73768483"
                           y3="6.18713"
                           yFract="0.73307227"
                           z3="4.28168"
                           zFract="0.19269487"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34221"
                           xFract="0.75144668"
                           y3="6.33434"
                           yFract="0.75051422"
                           z3="8.4832"
                           zFract="0.38178218"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.41">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01353"
                           xFract="0.23856991"
                           y3="6.40478"
                           yFract="0.75886019"
                           z3="9.75959"
                           zFract="0.43922547"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24101"
                           xFract="0.50248934"
                           y3="6.32361"
                           yFract="0.74924289"
                           z3="4.22557"
                           zFract="0.19016967"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09844"
                           xFract="-0.01166351"
                           y3="6.29347"
                           yFract="0.7456718"
                           z3="8.42879"
                           zFract="0.37933348"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31679"
                           xFract="0.74843483"
                           y3="4.22242"
                           yFract="0.50028673"
                           z3="4.21757"
                           zFract="0.18980963"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32182"
                           xFract="0.74903081"
                           y3="6.30463"
                           yFract="0.74699408"
                           z3="6.33151"
                           zFract="0.28494644"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29827"
                           xFract="0.74624052"
                           y3="4.19903"
                           yFract="0.4975154"
                           z3="8.50177"
                           zFract="0.38261791"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42689"
                           xFract="0.99844668"
                           y3="2.12795"
                           yFract="0.25212678"
                           z3="4.22789"
                           zFract="0.19027408"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22852"
                           xFract="0.50100948"
                           y3="2.10176"
                           yFract="0.2490237"
                           z3="4.19203"
                           zFract="0.18866022"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.3302"
                           xFract="0.51305687"
                           y3="6.28066"
                           yFract="0.74415403"
                           z3="8.46169"
                           zFract="0.38081413"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3122"
                           xFract="0.747891"
                           y3="-0.01838"
                           yFract="-0.00217773"
                           z3="8.44608"
                           zFract="0.38011161"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1432"
                           xFract="0.25393365"
                           y3="2.10998"
                           yFract="0.24999763"
                           z3="6.29189"
                           zFract="0.28316337"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13759"
                           xFract="0.25326896"
                           y3="4.13842"
                           yFract="0.49033412"
                           z3="8.45091"
                           zFract="0.38032898"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12588"
                           xFract="0.25188152"
                           y3="6.34079"
                           yFract="0.75127844"
                           z3="6.18723"
                           zFract="0.2784532"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40998"
                           xFract="0.99644313"
                           y3="2.12529"
                           yFract="0.25181161"
                           z3="8.4315"
                           zFract="0.37945545"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40882"
                           xFract="0.99630569"
                           y3="4.2427"
                           yFract="0.50268957"
                           z3="6.36515"
                           zFract="0.2864604"/>
                     <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="2.10959"
                           xFract="0.24995142"
                           y3="-0.00857"
                           yFract="-0.0010154"
                           z3="4.1906"
                           zFract="0.18859586"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23714"
                           xFract="0.50203081"
                           y3="4.21549"
                           yFract="0.49946564"
                           z3="6.39323"
                           zFract="0.28772412"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01079"
                           xFract="-0.00127844"
                           y3="6.35549"
                           yFract="0.75302014"
                           z3="4.19047"
                           zFract="0.18859001"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22458"
                           xFract="0.50054265"
                           y3="8.42314"
                           yFract="0.99800237"
                           z3="6.33921"
                           zFract="0.28529298"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31902"
                           xFract="0.74869905"
                           y3="8.42719"
                           yFract="0.99848223"
                           z3="4.2288"
                           zFract="0.19031503"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2721"
                           xFract="0.50617299"
                           y3="2.12241"
                           yFract="0.25147038"
                           z3="8.52627"
                           zFract="0.38372052"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10685"
                           xFract="0.24962678"
                           y3="4.21603"
                           yFract="0.49952962"
                           z3="4.22607"
                           zFract="0.19019217"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00176"
                           xFract="-0.00020853"
                           y3="-0.00792"
                           yFract="-0.00093839"
                           z3="6.35679"
                           zFract="0.28608416"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15839"
                           xFract="0.25573341"
                           y3="0.13308"
                           yFract="0.01576777"
                           z3="8.44881"
                           zFract="0.38023447"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30428"
                           xFract="0.74695261"
                           y3="2.11642"
                           yFract="0.25076066"
                           z3="6.33952"
                           zFract="0.28530693"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02575"
                           xFract="0.00305095"
                           y3="2.13159"
                           yFract="0.25255806"
                           z3="6.34421"
                           zFract="0.285518"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14198"
                           xFract="0.2537891"
                           y3="-0.03844"
                           yFract="-0.0045545"
                           z3="6.36721"
                           zFract="0.28655311"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40348"
                           xFract="0.99567299"
                           y3="0.06595"
                           yFract="0.00781398"
                           z3="4.24869"
                           zFract="0.19121017"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03372"
                           xFract="0.00399526"
                           y3="8.40072"
                           yFract="0.99534597"
                           z3="8.54065"
                           zFract="0.38436769"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11513"
                           xFract="0.25060782"
                           y3="2.17753"
                           yFract="0.25800118"
                           z3="4.22429"
                           zFract="0.19011206"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07637"
                           xFract="0.2460154"
                           y3="2.14303"
                           yFract="0.25391351"
                           z3="8.47212"
                           zFract="0.38128353"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20817"
                           xFract="0.49859834"
                           y3="2.13883"
                           yFract="0.25341588"
                           z3="6.30411"
                           zFract="0.28371332"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.2944"
                           xFract="0.74578199"
                           y3="8.39822"
                           yFract="0.99504976"
                           z3="6.37478"
                           zFract="0.28689379"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24754"
                           xFract="0.50326303"
                           y3="0.01628"
                           yFract="0.00192891"
                           z3="4.17907"
                           zFract="0.18807696"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20154"
                           xFract="0.4978128"
                           y3="8.38934"
                           yFract="0.99399763"
                           z3="8.71291"
                           zFract="0.39212016"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3237"
                           xFract="0.74925355"
                           y3="2.23657"
                           yFract="0.26499645"
                           z3="4.1945"
                           zFract="0.18877138"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35824"
                           xFract="0.75334597"
                           y3="2.05474"
                           yFract="0.24345261"
                           z3="8.53184"
                           zFract="0.3839712"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03667"
                           xFract="0.00434479"
                           y3="6.32074"
                           yFract="0.74890284"
                           z3="6.3348"
                           zFract="0.28509451"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06576"
                           xFract="0.24475829"
                           y3="4.27012"
                           yFract="0.50593839"
                           z3="6.42258"
                           zFract="0.289045"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34203"
                           xFract="0.98839218"
                           y3="4.1816"
                           yFract="0.49545024"
                           z3="4.28559"
                           zFract="0.19287084"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00508"
                           xFract="0.0006019"
                           y3="4.22334"
                           yFract="0.50039573"
                           z3="8.4928"
                           zFract="0.38221422"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22583"
                           xFract="0.26372393"
                           y3="6.24784"
                           yFract="0.7402654"
                           z3="4.1938"
                           zFract="0.18873987"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17443"
                           xFract="0.25763389"
                           y3="6.21408"
                           yFract="0.7362654"
                           z3="8.81324"
                           zFract="0.39663546"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.1753"
                           xFract="0.49470379"
                           y3="6.27979"
                           yFract="0.74405095"
                           z3="6.41278"
                           zFract="0.28860396"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35315"
                           xFract="0.75274289"
                           y3="4.25087"
                           yFract="0.50365758"
                           z3="6.41743"
                           zFract="0.28881323"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30512"
                           xFract="0.51008531"
                           y3="4.18208"
                           yFract="0.49550711"
                           z3="4.18181"
                           zFract="0.18820027"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22823"
                           xFract="0.50097512"
                           y3="4.20639"
                           yFract="0.49838744"
                           z3="8.7458"
                           zFract="0.39360036"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2263"
                           xFract="0.73771327"
                           y3="6.18723"
                           yFract="0.73308412"
                           z3="4.28164"
                           zFract="0.19269307"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34246"
                           xFract="0.7514763"
                           y3="6.33454"
                           yFract="0.75053791"
                           z3="8.48288"
                           zFract="0.38176778"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.42">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01381"
                           xFract="0.23860308"
                           y3="6.40431"
                           yFract="0.7588045"
                           z3="9.75963"
                           zFract="0.43922727"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24103"
                           xFract="0.50249171"
                           y3="6.32357"
                           yFract="0.74923815"
                           z3="4.2257"
                           zFract="0.19017552"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09852"
                           xFract="-0.01167299"
                           y3="6.29353"
                           yFract="0.74567891"
                           z3="8.42923"
                           zFract="0.37935329"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31669"
                           xFract="0.74842299"
                           y3="4.22247"
                           yFract="0.50029265"
                           z3="4.2175"
                           zFract="0.18980648"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32176"
                           xFract="0.7490237"
                           y3="6.3046"
                           yFract="0.74699052"
                           z3="6.33161"
                           zFract="0.28495095"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29861"
                           xFract="0.74628081"
                           y3="4.19917"
                           yFract="0.49753199"
                           z3="8.50185"
                           zFract="0.38262151"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42718"
                           xFract="0.99848104"
                           y3="2.12793"
                           yFract="0.25212441"
                           z3="4.22765"
                           zFract="0.19026328"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22824"
                           xFract="0.5009763"
                           y3="2.10141"
                           yFract="0.24898223"
                           z3="4.19258"
                           zFract="0.18868497"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32961"
                           xFract="0.51298697"
                           y3="6.28062"
                           yFract="0.74414929"
                           z3="8.46162"
                           zFract="0.38081098"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31267"
                           xFract="0.74794668"
                           y3="-0.01857"
                           yFract="-0.00220024"
                           z3="8.44623"
                           zFract="0.38011836"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14296"
                           xFract="0.25390521"
                           y3="2.10986"
                           yFract="0.24998341"
                           z3="6.29224"
                           zFract="0.28317912"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13738"
                           xFract="0.25324408"
                           y3="4.13797"
                           yFract="0.49028081"
                           z3="8.45119"
                           zFract="0.38034158"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1258"
                           xFract="0.25187204"
                           y3="6.34088"
                           yFract="0.7512891"
                           z3="6.18683"
                           zFract="0.27843519"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41016"
                           xFract="0.99646445"
                           y3="2.12514"
                           yFract="0.25179384"
                           z3="8.43183"
                           zFract="0.3794703"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40871"
                           xFract="0.99629265"
                           y3="4.24251"
                           yFract="0.50266706"
                           z3="6.36523"
                           zFract="0.286464"/>
                     <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="2.1096"
                           xFract="0.24995261"
                           y3="-0.00864"
                           yFract="-0.0010237"
                           z3="4.19058"
                           zFract="0.18859496"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23732"
                           xFract="0.50205213"
                           y3="4.21549"
                           yFract="0.49946564"
                           z3="6.39333"
                           zFract="0.28772862"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01065"
                           xFract="-0.00126185"
                           y3="6.35555"
                           yFract="0.75302725"
                           z3="4.19056"
                           zFract="0.18859406"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22445"
                           xFract="0.50052725"
                           y3="8.42308"
                           yFract="0.99799526"
                           z3="6.33925"
                           zFract="0.28529478"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31917"
                           xFract="0.74871682"
                           y3="8.42701"
                           yFract="0.9984609"
                           z3="4.22869"
                           zFract="0.19031008"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.27176"
                           xFract="0.5061327"
                           y3="2.12242"
                           yFract="0.25147156"
                           z3="8.52654"
                           zFract="0.38373267"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10686"
                           xFract="0.24962796"
                           y3="4.21615"
                           yFract="0.49954384"
                           z3="4.22595"
                           zFract="0.19018677"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00189"
                           xFract="-0.00022393"
                           y3="-0.00776"
                           yFract="-0.00091943"
                           z3="6.35699"
                           zFract="0.28609316"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1582"
                           xFract="0.2557109"
                           y3="0.13263"
                           yFract="0.01571445"
                           z3="8.44914"
                           zFract="0.38024932"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30433"
                           xFract="0.74695853"
                           y3="2.11645"
                           yFract="0.25076422"
                           z3="6.33972"
                           zFract="0.28531593"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02581"
                           xFract="0.00305806"
                           y3="2.13159"
                           yFract="0.25255806"
                           z3="6.34437"
                           zFract="0.2855252"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14214"
                           xFract="0.25380806"
                           y3="-0.0383"
                           yFract="-0.00453791"
                           z3="6.36755"
                           zFract="0.28656841"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40354"
                           xFract="0.99568009"
                           y3="0.0660"
                           yFract="0.00781991"
                           z3="4.24871"
                           zFract="0.19121107"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03356"
                           xFract="0.0039763"
                           y3="8.4009"
                           yFract="0.9953673"
                           z3="8.54036"
                           zFract="0.38435464"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11522"
                           xFract="0.25061848"
                           y3="2.17759"
                           yFract="0.25800829"
                           z3="4.22396"
                           zFract="0.19009721"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07646"
                           xFract="0.24602607"
                           y3="2.14368"
                           yFract="0.25399052"
                           z3="8.47182"
                           zFract="0.38127003"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20816"
                           xFract="0.49859716"
                           y3="2.13887"
                           yFract="0.25342062"
                           z3="6.30419"
                           zFract="0.28371692"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29444"
                           xFract="0.74578673"
                           y3="8.39817"
                           yFract="0.99504384"
                           z3="6.37476"
                           zFract="0.28689289"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24747"
                           xFract="0.50325474"
                           y3="0.01644"
                           yFract="0.00194787"
                           z3="4.17893"
                           zFract="0.18807066"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20166"
                           xFract="0.49782701"
                           y3="8.38918"
                           yFract="0.99397867"
                           z3="8.71282"
                           zFract="0.39211611"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32373"
                           xFract="0.74925711"
                           y3="2.2367"
                           yFract="0.26501185"
                           z3="4.19425"
                           zFract="0.18876013"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3581"
                           xFract="0.75332938"
                           y3="2.05474"
                           yFract="0.24345261"
                           z3="8.53168"
                           zFract="0.383964"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03662"
                           xFract="0.00433886"
                           y3="6.32068"
                           yFract="0.74889573"
                           z3="6.33486"
                           zFract="0.28509721"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06583"
                           xFract="0.24476659"
                           y3="4.26989"
                           yFract="0.50591114"
                           z3="6.42344"
                           zFract="0.28908371"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34197"
                           xFract="0.98838507"
                           y3="4.18158"
                           yFract="0.49544787"
                           z3="4.28587"
                           zFract="0.19288344"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00517"
                           xFract="0.00061256"
                           y3="4.22335"
                           yFract="0.50039692"
                           z3="8.49269"
                           zFract="0.38220927"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22565"
                           xFract="0.26370261"
                           y3="6.24792"
                           yFract="0.74027488"
                           z3="4.19379"
                           zFract="0.18873942"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17458"
                           xFract="0.25765166"
                           y3="6.21437"
                           yFract="0.73629976"
                           z3="8.8140"
                           zFract="0.39666967"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17561"
                           xFract="0.49474052"
                           y3="6.2798"
                           yFract="0.74405213"
                           z3="6.4136"
                           zFract="0.28864086"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35293"
                           xFract="0.75271682"
                           y3="4.25093"
                           yFract="0.50366469"
                           z3="6.41776"
                           zFract="0.28882808"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30526"
                           xFract="0.5101019"
                           y3="4.18209"
                           yFract="0.49550829"
                           z3="4.18186"
                           zFract="0.18820252"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22801"
                           xFract="0.50094905"
                           y3="4.20668"
                           yFract="0.4984218"
                           z3="8.74572"
                           zFract="0.39359676"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22639"
                           xFract="0.73772393"
                           y3="6.18722"
                           yFract="0.73308294"
                           z3="4.2817"
                           zFract="0.19269577"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34259"
                           xFract="0.75149171"
                           y3="6.33458"
                           yFract="0.75054265"
                           z3="8.4828"
                           zFract="0.38176418"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a33" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.43">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01466"
                           xFract="0.23870379"
                           y3="6.40289"
                           yFract="0.75863626"
                           z3="9.75975"
                           zFract="0.43923267"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2411"
                           xFract="0.5025"
                           y3="6.32345"
                           yFract="0.74922393"
                           z3="4.22608"
                           zFract="0.19019262"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09877"
                           xFract="-0.01170261"
                           y3="6.29372"
                           yFract="0.74570142"
                           z3="8.43055"
                           zFract="0.37941269"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3164"
                           xFract="0.74838863"
                           y3="4.22263"
                           yFract="0.50031161"
                           z3="4.21729"
                           zFract="0.18979703"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32158"
                           xFract="0.74900237"
                           y3="6.3045"
                           yFract="0.74697867"
                           z3="6.33191"
                           zFract="0.28496445"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29962"
                           xFract="0.74640047"
                           y3="4.19958"
                           yFract="0.49758057"
                           z3="8.50209"
                           zFract="0.38263231"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42804"
                           xFract="0.99858294"
                           y3="2.12785"
                           yFract="0.25211493"
                           z3="4.22693"
                           zFract="0.19023087"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22741"
                           xFract="0.50087796"
                           y3="2.10036"
                           yFract="0.24885782"
                           z3="4.19421"
                           zFract="0.18875833"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32784"
                           xFract="0.51277725"
                           y3="6.28052"
                           yFract="0.74413744"
                           z3="8.46141"
                           zFract="0.38080153"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3141"
                           xFract="0.74811611"
                           y3="-0.01912"
                           yFract="-0.0022654"
                           z3="8.44668"
                           zFract="0.38013861"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14221"
                           xFract="0.25381635"
                           y3="2.10951"
                           yFract="0.24994194"
                           z3="6.29328"
                           zFract="0.28322592"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13675"
                           xFract="0.25316943"
                           y3="4.13662"
                           yFract="0.49012085"
                           z3="8.45203"
                           zFract="0.38037939"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12554"
                           xFract="0.25184123"
                           y3="6.34118"
                           yFract="0.75132464"
                           z3="6.18564"
                           zFract="0.27838164"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.4107"
                           xFract="0.99652844"
                           y3="2.12471"
                           yFract="0.25174289"
                           z3="8.43281"
                           zFract="0.3795144"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40838"
                           xFract="0.99625355"
                           y3="4.24193"
                           yFract="0.50259834"
                           z3="6.36548"
                           zFract="0.28647525"/>
                     <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="2.10965"
                           xFract="0.24995853"
                           y3="-0.00884"
                           yFract="-0.00104739"
                           z3="4.1905"
                           zFract="0.18859136"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23788"
                           xFract="0.50211848"
                           y3="4.21548"
                           yFract="0.49946445"
                           z3="6.39362"
                           zFract="0.28774167"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01023"
                           xFract="-0.00121209"
                           y3="6.35571"
                           yFract="0.75304621"
                           z3="4.19084"
                           zFract="0.18860666"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22405"
                           xFract="0.50047986"
                           y3="8.42288"
                           yFract="0.99797156"
                           z3="6.33934"
                           zFract="0.28529883"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3196"
                           xFract="0.74876777"
                           y3="8.42648"
                           yFract="0.9983981"
                           z3="4.22836"
                           zFract="0.19029523"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.27076"
                           xFract="0.50601422"
                           y3="2.12247"
                           yFract="0.25147749"
                           z3="8.52734"
                           zFract="0.38376868"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1069"
                           xFract="0.2496327"
                           y3="4.21652"
                           yFract="0.49958768"
                           z3="4.22559"
                           zFract="0.19017057"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00228"
                           xFract="-0.00027014"
                           y3="-0.00728"
                           yFract="-0.00086256"
                           z3="6.35759"
                           zFract="0.28612016"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15763"
                           xFract="0.25564336"
                           y3="0.13128"
                           yFract="0.0155545"
                           z3="8.45012"
                           zFract="0.38029343"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30447"
                           xFract="0.74697512"
                           y3="2.11652"
                           yFract="0.25077251"
                           z3="6.34033"
                           zFract="0.28534338"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02599"
                           xFract="0.00307938"
                           y3="2.1316"
                           yFract="0.25255924"
                           z3="6.34484"
                           zFract="0.28554635"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14262"
                           xFract="0.25386493"
                           y3="-0.03789"
                           yFract="-0.00448934"
                           z3="6.36857"
                           zFract="0.28661431"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40373"
                           xFract="0.99570261"
                           y3="0.06616"
                           yFract="0.00783886"
                           z3="4.24878"
                           zFract="0.19121422"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0331"
                           xFract="0.0039218"
                           y3="8.40144"
                           yFract="0.99543128"
                           z3="8.53948"
                           zFract="0.38431503"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11547"
                           xFract="0.2506481"
                           y3="2.17775"
                           yFract="0.25802725"
                           z3="4.22297"
                           zFract="0.19005266"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07673"
                           xFract="0.24605806"
                           y3="2.14562"
                           yFract="0.25422038"
                           z3="8.47092"
                           zFract="0.38122952"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20812"
                           xFract="0.49859242"
                           y3="2.13897"
                           yFract="0.25343246"
                           z3="6.30444"
                           zFract="0.28372817"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29455"
                           xFract="0.74579976"
                           y3="8.39802"
                           yFract="0.99502607"
                           z3="6.37469"
                           zFract="0.28688974"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24728"
                           xFract="0.50323223"
                           y3="0.01693"
                           yFract="0.00200592"
                           z3="4.1785"
                           zFract="0.18805131"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2020"
                           xFract="0.4978673"
                           y3="8.38868"
                           yFract="0.99391943"
                           z3="8.71255"
                           zFract="0.39210396"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32383"
                           xFract="0.74926896"
                           y3="2.23706"
                           yFract="0.2650545"
                           z3="4.19349"
                           zFract="0.18872592"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35769"
                           xFract="0.75328081"
                           y3="2.05473"
                           yFract="0.24345142"
                           z3="8.53119"
                           zFract="0.38394194"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03646"
                           xFract="0.00431991"
                           y3="6.3205"
                           yFract="0.74887441"
                           z3="6.33505"
                           zFract="0.28510576"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06603"
                           xFract="0.24479028"
                           y3="4.26919"
                           yFract="0.5058282"
                           z3="6.42602"
                           zFract="0.28919982"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34179"
                           xFract="0.98836374"
                           y3="4.18152"
                           yFract="0.49544076"
                           z3="4.28669"
                           zFract="0.19292034"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00543"
                           xFract="0.00064336"
                           y3="4.22339"
                           yFract="0.50040166"
                           z3="8.49236"
                           zFract="0.38219442"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22509"
                           xFract="0.26363626"
                           y3="6.24816"
                           yFract="0.74030332"
                           z3="4.19378"
                           zFract="0.18873897"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17503"
                           xFract="0.25770498"
                           y3="6.21521"
                           yFract="0.73639929"
                           z3="8.81629"
                           zFract="0.39677273"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17654"
                           xFract="0.49485071"
                           y3="6.27982"
                           yFract="0.7440545"
                           z3="6.41609"
                           zFract="0.28875293"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35227"
                           xFract="0.75263863"
                           y3="4.2511"
                           yFract="0.50368483"
                           z3="6.41877"
                           zFract="0.28887354"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30567"
                           xFract="0.51015047"
                           y3="4.18209"
                           yFract="0.49550829"
                           z3="4.18201"
                           zFract="0.18820927"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22736"
                           xFract="0.50087204"
                           y3="4.20755"
                           yFract="0.49852488"
                           z3="8.74546"
                           zFract="0.39358506"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22668"
                           xFract="0.73775829"
                           y3="6.18719"
                           yFract="0.73307938"
                           z3="4.28188"
                           zFract="0.19270387"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34297"
                           xFract="0.75153673"
                           y3="6.33469"
                           yFract="0.75055569"
                           z3="8.48258"
                           zFract="0.38175428"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.44">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01636"
                           xFract="0.23890521"
                           y3="6.40005"
                           yFract="0.75829976"
                           z3="9.75999"
                           zFract="0.43924347"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24125"
                           xFract="0.50251777"
                           y3="6.32321"
                           yFract="0.7491955"
                           z3="4.22684"
                           zFract="0.19022682"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09925"
                           xFract="-0.01175948"
                           y3="6.2941"
                           yFract="0.74574645"
                           z3="8.43319"
                           zFract="0.3795315"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31581"
                           xFract="0.74831872"
                           y3="4.22294"
                           yFract="0.50034834"
                           z3="4.21688"
                           zFract="0.18977858"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32122"
                           xFract="0.74895972"
                           y3="6.30429"
                           yFract="0.74695379"
                           z3="6.33251"
                           zFract="0.28499145"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30164"
                           xFract="0.74663981"
                           y3="4.20041"
                           yFract="0.49767891"
                           z3="8.50256"
                           zFract="0.38265347"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42977"
                           xFract="0.99878791"
                           y3="2.1277"
                           yFract="0.25209716"
                           z3="4.22548"
                           zFract="0.19016562"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22573"
                           xFract="0.50067891"
                           y3="2.09826"
                           yFract="0.248609"
                           z3="4.19748"
                           zFract="0.18890549"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32429"
                           xFract="0.51235664"
                           y3="6.2803"
                           yFract="0.74411137"
                           z3="8.4610"
                           zFract="0.38078308"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31697"
                           xFract="0.74845616"
                           y3="-0.02021"
                           yFract="-0.00239455"
                           z3="8.44759"
                           zFract="0.38017957"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14071"
                           xFract="0.25363863"
                           y3="2.1088"
                           yFract="0.24985782"
                           z3="6.29537"
                           zFract="0.28331998"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1355"
                           xFract="0.25302133"
                           y3="4.13391"
                           yFract="0.48979976"
                           z3="8.45372"
                           zFract="0.38045545"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12504"
                           xFract="0.25178199"
                           y3="6.34177"
                           yFract="0.75139455"
                           z3="6.18325"
                           zFract="0.27827408"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41177"
                           xFract="0.99665521"
                           y3="2.12384"
                           yFract="0.25163981"
                           z3="8.43478"
                           zFract="0.37960306"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40771"
                           xFract="0.99617417"
                           y3="4.24079"
                           yFract="0.50246327"
                           z3="6.36597"
                           zFract="0.2864973"/>
                     <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="2.10973"
                           xFract="0.24996801"
                           y3="-0.00925"
                           yFract="-0.00109597"
                           z3="4.19035"
                           zFract="0.18858461"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23899"
                           xFract="0.50225"
                           y3="4.21546"
                           yFract="0.49946209"
                           z3="6.39421"
                           zFract="0.28776823"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00939"
                           xFract="-0.00111256"
                           y3="6.35603"
                           yFract="0.75308412"
                           z3="4.1914"
                           zFract="0.18863186"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22324"
                           xFract="0.50038389"
                           y3="8.42249"
                           yFract="0.99792536"
                           z3="6.33952"
                           zFract="0.28530693"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32046"
                           xFract="0.74886967"
                           y3="8.42541"
                           yFract="0.99827133"
                           z3="4.22771"
                           zFract="0.19026598"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26875"
                           xFract="0.50577607"
                           y3="2.12256"
                           yFract="0.25148815"
                           z3="8.52894"
                           zFract="0.38384068"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10696"
                           xFract="0.24963981"
                           y3="4.21727"
                           yFract="0.49967654"
                           z3="4.22487"
                           zFract="0.19013816"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00306"
                           xFract="-0.00036256"
                           y3="-0.00631"
                           yFract="-0.00074763"
                           z3="6.35879"
                           zFract="0.28617417"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1565"
                           xFract="0.25550948"
                           y3="0.12859"
                           yFract="0.01523578"
                           z3="8.4521"
                           zFract="0.38038254"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30475"
                           xFract="0.74700829"
                           y3="2.11666"
                           yFract="0.2507891"
                           z3="6.34155"
                           zFract="0.28539829"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02634"
                           xFract="0.00312085"
                           y3="2.13161"
                           yFract="0.25256043"
                           z3="6.34578"
                           zFract="0.28558866"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14357"
                           xFract="0.25397749"
                           y3="-0.03708"
                           yFract="-0.00439336"
                           z3="6.3706"
                           zFract="0.28670567"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40411"
                           xFract="0.99574763"
                           y3="0.06648"
                           yFract="0.00787678"
                           z3="4.24893"
                           zFract="0.19122097"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03217"
                           xFract="0.00381161"
                           y3="8.40253"
                           yFract="0.99556043"
                           z3="8.53773"
                           zFract="0.38423627"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11598"
                           xFract="0.25070853"
                           y3="2.17808"
                           yFract="0.25806635"
                           z3="4.22098"
                           zFract="0.1899631"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07728"
                           xFract="0.24612322"
                           y3="2.1495"
                           yFract="0.25468009"
                           z3="8.46912"
                           zFract="0.38114851"/>
                     <atom elementType="O"
                           id="a52"
                           x3="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="2.13918"
                           yFract="0.25345735"
                           z3="6.30493"
                           zFract="0.28375023"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29478"
                           xFract="0.74582701"
                           y3="8.39773"
                           yFract="0.99499171"
                           z3="6.37456"
                           zFract="0.28688389"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2469"
                           xFract="0.5031872"
                           y3="0.01789"
                           yFract="0.00211967"
                           z3="4.17765"
                           zFract="0.18801305"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20269"
                           xFract="0.49794905"
                           y3="8.38768"
                           yFract="0.99380095"
                           z3="8.71199"
                           zFract="0.39207876"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32403"
                           xFract="0.74929265"
                           y3="2.23779"
                           yFract="0.265141"
                           z3="4.19198"
                           zFract="0.18865797"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35687"
                           xFract="0.75318365"
                           y3="2.05473"
                           yFract="0.24345142"
                           z3="8.53022"
                           zFract="0.38389829"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03614"
                           xFract="0.00428199"
                           y3="6.32014"
                           yFract="0.74883175"
                           z3="6.33543"
                           zFract="0.28512286"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06644"
                           xFract="0.24483886"
                           y3="4.26781"
                           yFract="0.50566469"
                           z3="6.43117"
                           zFract="0.28943159"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34145"
                           xFract="0.98832346"
                           y3="4.18139"
                           yFract="0.49542536"
                           z3="4.28835"
                           zFract="0.19299505"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00596"
                           xFract="0.00070616"
                           y3="4.22346"
                           yFract="0.50040995"
                           z3="8.4917"
                           zFract="0.38216472"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22397"
                           xFract="0.26350355"
                           y3="6.24866"
                           yFract="0.74036256"
                           z3="4.19375"
                           zFract="0.18873762"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17592"
                           xFract="0.25781043"
                           y3="6.2169"
                           yFract="0.73659953"
                           z3="8.82087"
                           zFract="0.39697885"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.1784"
                           xFract="0.49507109"
                           y3="6.27988"
                           yFract="0.74406161"
                           z3="6.42105"
                           zFract="0.28897615"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35095"
                           xFract="0.75248223"
                           y3="4.25145"
                           yFract="0.5037263"
                           z3="6.42077"
                           zFract="0.28896355"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30649"
                           xFract="0.51024763"
                           y3="4.18211"
                           yFract="0.49551066"
                           z3="4.1823"
                           zFract="0.18822232"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22604"
                           xFract="0.50071564"
                           y3="4.20929"
                           yFract="0.49873104"
                           z3="8.74496"
                           zFract="0.39356256"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22725"
                           xFract="0.73782583"
                           y3="6.18712"
                           yFract="0.73307109"
                           z3="4.28223"
                           zFract="0.19271962"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34375"
                           xFract="0.75162915"
                           y3="6.33492"
                           yFract="0.75058294"
                           z3="8.48213"
                           zFract="0.38173402"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.45">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01522"
                           xFract="0.23877014"
                           y3="6.40195"
                           yFract="0.75852488"
                           z3="9.75983"
                           zFract="0.43923627"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24115"
                           xFract="0.50250592"
                           y3="6.32337"
                           yFract="0.74921445"
                           z3="4.22633"
                           zFract="0.19020387"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09893"
                           xFract="-0.01172156"
                           y3="6.29385"
                           yFract="0.74571682"
                           z3="8.43142"
                           zFract="0.37945185"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31621"
                           xFract="0.74836611"
                           y3="4.22273"
                           yFract="0.50032346"
                           z3="4.21716"
                           zFract="0.18979118"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32146"
                           xFract="0.74898815"
                           y3="6.30443"
                           yFract="0.74697038"
                           z3="6.3321"
                           zFract="0.284973"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30029"
                           xFract="0.74647986"
                           y3="4.19985"
                           yFract="0.49761256"
                           z3="8.50224"
                           zFract="0.38263906"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42861"
                           xFract="0.99865047"
                           y3="2.1278"
                           yFract="0.252109"
                           z3="4.22645"
                           zFract="0.19020927"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22686"
                           xFract="0.5008128"
                           y3="2.09967"
                           yFract="0.24877607"
                           z3="4.19529"
                           zFract="0.18880693"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32666"
                           xFract="0.51263744"
                           y3="6.28044"
                           yFract="0.74412796"
                           z3="8.46128"
                           zFract="0.38079568"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31505"
                           xFract="0.74822867"
                           y3="-0.01948"
                           yFract="-0.00230806"
                           z3="8.44698"
                           zFract="0.38015212"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14172"
                           xFract="0.25375829"
                           y3="2.10928"
                           yFract="0.24991469"
                           z3="6.29397"
                           zFract="0.28325698"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13634"
                           xFract="0.25312085"
                           y3="4.13572"
                           yFract="0.49001422"
                           z3="8.45259"
                           zFract="0.38040459"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12538"
                           xFract="0.25182227"
                           y3="6.34137"
                           yFract="0.75134716"
                           z3="6.18485"
                           zFract="0.27834608"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41105"
                           xFract="0.99656991"
                           y3="2.12442"
                           yFract="0.25170853"
                           z3="8.43346"
                           zFract="0.37954365"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40815"
                           xFract="0.9962263"
                           y3="4.24156"
                           yFract="0.5025545"
                           z3="6.36564"
                           zFract="0.28648245"/>
                     <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="2.10968"
                           xFract="0.24996209"
                           y3="-0.00898"
                           yFract="-0.00106398"
                           z3="4.19045"
                           zFract="0.18858911"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23824"
                           xFract="0.50216114"
                           y3="4.21547"
                           yFract="0.49946327"
                           z3="6.39382"
                           zFract="0.28775068"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00995"
                           xFract="-0.00117891"
                           y3="6.35581"
                           yFract="0.75305806"
                           z3="4.19103"
                           zFract="0.18861521"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22378"
                           xFract="0.50044787"
                           y3="8.42275"
                           yFract="0.99795616"
                           z3="6.3394"
                           zFract="0.28530153"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31988"
                           xFract="0.74880095"
                           y3="8.42612"
                           yFract="0.99835545"
                           z3="4.22815"
                           zFract="0.19028578"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2701"
                           xFract="0.50593602"
                           y3="2.1225"
                           yFract="0.25148104"
                           z3="8.52787"
                           zFract="0.38379253"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10692"
                           xFract="0.24963507"
                           y3="4.21677"
                           yFract="0.4996173"
                           z3="4.22535"
                           zFract="0.19015977"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00254"
                           xFract="-0.00030095"
                           y3="-0.00696"
                           yFract="-0.00082464"
                           z3="6.35798"
                           zFract="0.28613771"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15726"
                           xFract="0.25559953"
                           y3="0.13039"
                           yFract="0.01544905"
                           z3="8.45078"
                           zFract="0.38032313"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30456"
                           xFract="0.74698578"
                           y3="2.11656"
                           yFract="0.25077725"
                           z3="6.34073"
                           zFract="0.28536139"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0261"
                           xFract="0.00309242"
                           y3="2.1316"
                           yFract="0.25255924"
                           z3="6.34515"
                           zFract="0.28556031"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14293"
                           xFract="0.25390166"
                           y3="-0.03763"
                           yFract="-0.00445853"
                           z3="6.36924"
                           zFract="0.28664446"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40386"
                           xFract="0.99571801"
                           y3="0.06627"
                           yFract="0.0078519"
                           z3="4.24883"
                           zFract="0.19121647"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03279"
                           xFract="0.00388507"
                           y3="8.4018"
                           yFract="0.99547393"
                           z3="8.5389"
                           zFract="0.38428893"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11564"
                           xFract="0.25066825"
                           y3="2.17786"
                           yFract="0.25804028"
                           z3="4.22232"
                           zFract="0.1900234"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07691"
                           xFract="0.24607938"
                           y3="2.1469"
                           yFract="0.25437204"
                           z3="8.47033"
                           zFract="0.38120297"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20809"
                           xFract="0.49858886"
                           y3="2.13904"
                           yFract="0.25344076"
                           z3="6.3046"
                           zFract="0.28373537"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29463"
                           xFract="0.74580924"
                           y3="8.39792"
                           yFract="0.99501422"
                           z3="6.37465"
                           zFract="0.28688794"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24716"
                           xFract="0.50321801"
                           y3="0.01724"
                           yFract="0.00204265"
                           z3="4.17822"
                           zFract="0.1880387"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20223"
                           xFract="0.49789455"
                           y3="8.38835"
                           yFract="0.99388033"
                           z3="8.71236"
                           zFract="0.39209541"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3239"
                           xFract="0.74927725"
                           y3="2.2373"
                           yFract="0.26508294"
                           z3="4.19299"
                           zFract="0.18870342"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35742"
                           xFract="0.75324882"
                           y3="2.05473"
                           yFract="0.24345142"
                           z3="8.53087"
                           zFract="0.38392754"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03635"
                           xFract="0.00430687"
                           y3="6.32038"
                           yFract="0.74886019"
                           z3="6.33518"
                           zFract="0.28511161"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06617"
                           xFract="0.24480687"
                           y3="4.26874"
                           yFract="0.50577488"
                           z3="6.42772"
                           zFract="0.28927633"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34168"
                           xFract="0.98835071"
                           y3="4.18148"
                           yFract="0.49543602"
                           z3="4.28724"
                           zFract="0.19294509"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00561"
                           xFract="0.00066469"
                           y3="4.22341"
                           yFract="0.50040403"
                           z3="8.49214"
                           zFract="0.38218452"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22472"
                           xFract="0.26359242"
                           y3="6.24833"
                           yFract="0.74032346"
                           z3="4.19377"
                           zFract="0.18873852"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17532"
                           xFract="0.25773934"
                           y3="6.21577"
                           yFract="0.73646564"
                           z3="8.8178"
                           zFract="0.39684068"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17715"
                           xFract="0.49492299"
                           y3="6.27984"
                           yFract="0.74405687"
                           z3="6.41772"
                           zFract="0.28882628"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35183"
                           xFract="0.75258649"
                           y3="4.25122"
                           yFract="0.50369905"
                           z3="6.41943"
                           zFract="0.28890324"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30594"
                           xFract="0.51018246"
                           y3="4.1821"
                           yFract="0.49550948"
                           z3="4.1821"
                           zFract="0.18821332"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22692"
                           xFract="0.50081991"
                           y3="4.20812"
                           yFract="0.49859242"
                           z3="8.7453"
                           zFract="0.39357786"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22687"
                           xFract="0.73778081"
                           y3="6.18717"
                           yFract="0.73307701"
                           z3="4.28199"
                           zFract="0.19270882"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34323"
                           xFract="0.75156754"
                           y3="6.33477"
                           yFract="0.75056517"
                           z3="8.48243"
                           zFract="0.38174752"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.46">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01509"
                           xFract="0.23875474"
                           y3="6.40216"
                           yFract="0.75854976"
                           z3="9.75981"
                           zFract="0.43923537"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24114"
                           xFract="0.50250474"
                           y3="6.32339"
                           yFract="0.74921682"
                           z3="4.22627"
                           zFract="0.19020117"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09889"
                           xFract="-0.01171682"
                           y3="6.29382"
                           yFract="0.74571327"
                           z3="8.43122"
                           zFract="0.37944284"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31625"
                           xFract="0.74837085"
                           y3="4.2227"
                           yFract="0.50031991"
                           z3="4.21719"
                           zFract="0.18979253"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32149"
                           xFract="0.74899171"
                           y3="6.30444"
                           yFract="0.74697156"
                           z3="6.33206"
                           zFract="0.2849712"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30014"
                           xFract="0.74646209"
                           y3="4.19979"
                           yFract="0.49760545"
                           z3="8.50221"
                           zFract="0.38263771"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42848"
                           xFract="0.99863507"
                           y3="2.12781"
                           yFract="0.25211019"
                           z3="4.22656"
                           zFract="0.19021422"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22698"
                           xFract="0.50082701"
                           y3="2.09982"
                           yFract="0.24879384"
                           z3="4.19505"
                           zFract="0.18879613"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32693"
                           xFract="0.51266943"
                           y3="6.28046"
                           yFract="0.74413033"
                           z3="8.46131"
                           zFract="0.38079703"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31484"
                           xFract="0.74820379"
                           y3="-0.0194"
                           yFract="-0.00229858"
                           z3="8.44692"
                           zFract="0.38014941"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14183"
                           xFract="0.25377133"
                           y3="2.10933"
                           yFract="0.24992062"
                           z3="6.29382"
                           zFract="0.28325023"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13643"
                           xFract="0.25313152"
                           y3="4.13593"
                           yFract="0.4900391"
                           z3="8.45247"
                           zFract="0.38039919"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12542"
                           xFract="0.25182701"
                           y3="6.34133"
                           yFract="0.75134242"
                           z3="6.18503"
                           zFract="0.27835419"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41097"
                           xFract="0.99656043"
                           y3="2.12449"
                           yFract="0.25171682"
                           z3="8.43332"
                           zFract="0.37953735"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.4082"
                           xFract="0.99623223"
                           y3="4.24164"
                           yFract="0.50256398"
                           z3="6.36561"
                           zFract="0.2864811"/>
                     <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="2.10967"
                           xFract="0.2499609"
                           y3="-0.00895"
                           yFract="-0.00106043"
                           z3="4.19046"
                           zFract="0.18858956"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23816"
                           xFract="0.50215166"
                           y3="4.21547"
                           yFract="0.49946327"
                           z3="6.39377"
                           zFract="0.28774842"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01001"
                           xFract="-0.00118602"
                           y3="6.35579"
                           yFract="0.75305569"
                           z3="4.19099"
                           zFract="0.18861341"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22384"
                           xFract="0.50045498"
                           y3="8.42278"
                           yFract="0.99795972"
                           z3="6.33938"
                           zFract="0.28530063"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31982"
                           xFract="0.74879384"
                           y3="8.4262"
                           yFract="0.99836493"
                           z3="4.2282"
                           zFract="0.19028803"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.27025"
                           xFract="0.50595379"
                           y3="2.12249"
                           yFract="0.25147986"
                           z3="8.52775"
                           zFract="0.38378713"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10691"
                           xFract="0.24963389"
                           y3="4.21671"
                           yFract="0.49961019"
                           z3="4.22541"
                           zFract="0.19016247"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00248"
                           xFract="-0.00029384"
                           y3="-0.00703"
                           yFract="-0.00083294"
                           z3="6.3579"
                           zFract="0.28613411"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15734"
                           xFract="0.255609"
                           y3="0.13059"
                           yFract="0.01547275"
                           z3="8.45063"
                           zFract="0.38031638"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30454"
                           xFract="0.74698341"
                           y3="2.11655"
                           yFract="0.25077607"
                           z3="6.34064"
                           zFract="0.28535734"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02608"
                           xFract="0.00309005"
                           y3="2.1316"
                           yFract="0.25255924"
                           z3="6.34508"
                           zFract="0.28555716"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14286"
                           xFract="0.25389336"
                           y3="-0.03769"
                           yFract="-0.00446564"
                           z3="6.36909"
                           zFract="0.28663771"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40383"
                           xFract="0.99571445"
                           y3="0.06624"
                           yFract="0.00784834"
                           z3="4.24882"
                           zFract="0.19121602"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03286"
                           xFract="0.00389336"
                           y3="8.40172"
                           yFract="0.99546445"
                           z3="8.53903"
                           zFract="0.38429478"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1156"
                           xFract="0.25066351"
                           y3="2.17784"
                           yFract="0.25803791"
                           z3="4.22246"
                           zFract="0.1900297"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07687"
                           xFract="0.24607464"
                           y3="2.14661"
                           yFract="0.25433768"
                           z3="8.47046"
                           zFract="0.38120882"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2081"
                           xFract="0.49859005"
                           y3="2.13902"
                           yFract="0.25343839"
                           z3="6.30456"
                           zFract="0.28373357"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29461"
                           xFract="0.74580687"
                           y3="8.39795"
                           yFract="0.99501777"
                           z3="6.37466"
                           zFract="0.28688839"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24719"
                           xFract="0.50322156"
                           y3="0.01717"
                           yFract="0.00203436"
                           z3="4.17828"
                           zFract="0.1880414"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20218"
                           xFract="0.49788863"
                           y3="8.38842"
                           yFract="0.99388863"
                           z3="8.7124"
                           zFract="0.39209721"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32389"
                           xFract="0.74927607"
                           y3="2.23725"
                           yFract="0.26507701"
                           z3="4.19311"
                           zFract="0.18870882"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35748"
                           xFract="0.75325592"
                           y3="2.05473"
                           yFract="0.24345142"
                           z3="8.53094"
                           zFract="0.38393069"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03638"
                           xFract="0.00431043"
                           y3="6.32041"
                           yFract="0.74886374"
                           z3="6.33515"
                           zFract="0.28511026"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06614"
                           xFract="0.24480332"
                           y3="4.26884"
                           yFract="0.50578673"
                           z3="6.42734"
                           zFract="0.28925923"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34171"
                           xFract="0.98835427"
                           y3="4.18149"
                           yFract="0.4954372"
                           z3="4.28712"
                           zFract="0.19293969"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00557"
                           xFract="0.00065995"
                           y3="4.22341"
                           yFract="0.50040403"
                           z3="8.49219"
                           zFract="0.38218677"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2248"
                           xFract="0.2636019"
                           y3="6.24829"
                           yFract="0.74031872"
                           z3="4.19377"
                           zFract="0.18873852"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17525"
                           xFract="0.25773104"
                           y3="6.21564"
                           yFract="0.73645024"
                           z3="8.81746"
                           zFract="0.39682538"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17701"
                           xFract="0.4949064"
                           y3="6.27984"
                           yFract="0.74405687"
                           z3="6.41735"
                           zFract="0.28880963"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35193"
                           xFract="0.75259834"
                           y3="4.25119"
                           yFract="0.5036955"
                           z3="6.41928"
                           zFract="0.28889649"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30588"
                           xFract="0.51017536"
                           y3="4.1821"
                           yFract="0.49550948"
                           z3="4.18208"
                           zFract="0.18821242"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22702"
                           xFract="0.50083175"
                           y3="4.20799"
                           yFract="0.49857701"
                           z3="8.74534"
                           zFract="0.39357966"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22682"
                           xFract="0.73777488"
                           y3="6.18717"
                           yFract="0.73307701"
                           z3="4.28197"
                           zFract="0.19270792"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34317"
                           xFract="0.75156043"
                           y3="6.33475"
                           yFract="0.7505628"
                           z3="8.48246"
                           zFract="0.38174887"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.47">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01543"
                           xFract="0.23879502"
                           y3="6.40149"
                           yFract="0.75847038"
                           z3="9.76118"
                           zFract="0.43929703"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24124"
                           xFract="0.50251659"
                           y3="6.32337"
                           yFract="0.74921445"
                           z3="4.22646"
                           zFract="0.19020972"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09884"
                           xFract="-0.0117109"
                           y3="6.29377"
                           yFract="0.74570735"
                           z3="8.43174"
                           zFract="0.37946625"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3162"
                           xFract="0.74836493"
                           y3="4.22266"
                           yFract="0.50031517"
                           z3="4.21718"
                           zFract="0.18979208"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32147"
                           xFract="0.74898934"
                           y3="6.30442"
                           yFract="0.74696919"
                           z3="6.3323"
                           zFract="0.284982"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30038"
                           xFract="0.74649052"
                           y3="4.19993"
                           yFract="0.49762204"
                           z3="8.50239"
                           zFract="0.38264581"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42876"
                           xFract="0.99866825"
                           y3="2.12784"
                           yFract="0.25211374"
                           z3="4.22637"
                           zFract="0.19020567"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22678"
                           xFract="0.50080332"
                           y3="2.09957"
                           yFract="0.24876422"
                           z3="4.1956"
                           zFract="0.18882088"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32652"
                           xFract="0.51262085"
                           y3="6.28044"
                           yFract="0.74412796"
                           z3="8.46152"
                           zFract="0.38080648"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31525"
                           xFract="0.74825237"
                           y3="-0.01957"
                           yFract="-0.00231872"
                           z3="8.44701"
                           zFract="0.38015347"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14164"
                           xFract="0.25374882"
                           y3="2.1093"
                           yFract="0.24991706"
                           z3="6.29414"
                           zFract="0.28326463"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13623"
                           xFract="0.25310782"
                           y3="4.13617"
                           yFract="0.49006754"
                           z3="8.45293"
                           zFract="0.38041989"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12535"
                           xFract="0.25181872"
                           y3="6.34124"
                           yFract="0.75133175"
                           z3="6.18479"
                           zFract="0.27834338"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41105"
                           xFract="0.99656991"
                           y3="2.12438"
                           yFract="0.25170379"
                           z3="8.43369"
                           zFract="0.37955401"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40818"
                           xFract="0.99622986"
                           y3="4.24151"
                           yFract="0.50254858"
                           z3="6.36586"
                           zFract="0.28649235"/>
                     <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="2.10974"
                           xFract="0.24996919"
                           y3="-0.00893"
                           yFract="-0.00105806"
                           z3="4.19043"
                           zFract="0.18858821"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23823"
                           xFract="0.50215995"
                           y3="4.21548"
                           yFract="0.49946445"
                           z3="6.39411"
                           zFract="0.28776373"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00989"
                           xFract="-0.0011718"
                           y3="6.35586"
                           yFract="0.75306398"
                           z3="4.1911"
                           zFract="0.18861836"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22383"
                           xFract="0.50045379"
                           y3="8.42273"
                           yFract="0.99795379"
                           z3="6.33956"
                           zFract="0.28530873"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31995"
                           xFract="0.74880924"
                           y3="8.42601"
                           yFract="0.99834242"
                           z3="4.22811"
                           zFract="0.19028398"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26996"
                           xFract="0.50591943"
                           y3="2.12251"
                           yFract="0.25148223"
                           z3="8.5281"
                           zFract="0.38380288"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10696"
                           xFract="0.24963981"
                           y3="4.21679"
                           yFract="0.49961967"
                           z3="4.22543"
                           zFract="0.19016337"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00263"
                           xFract="-0.00031161"
                           y3="-0.00693"
                           yFract="-0.00082109"
                           z3="6.35798"
                           zFract="0.28613771"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15723"
                           xFract="0.25559597"
                           y3="0.13029"
                           yFract="0.0154372"
                           z3="8.45105"
                           zFract="0.38033528"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30457"
                           xFract="0.74698697"
                           y3="2.11654"
                           yFract="0.25077488"
                           z3="6.34083"
                           zFract="0.28536589"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02613"
                           xFract="0.00309597"
                           y3="2.13155"
                           yFract="0.25255332"
                           z3="6.34533"
                           zFract="0.28556841"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14288"
                           xFract="0.25389573"
                           y3="-0.03755"
                           yFract="-0.00444905"
                           z3="6.36962"
                           zFract="0.28666157"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40402"
                           xFract="0.99573697"
                           y3="0.06634"
                           yFract="0.00786019"
                           z3="4.24882"
                           zFract="0.19121602"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03272"
                           xFract="0.00387678"
                           y3="8.40202"
                           yFract="0.9955"
                           z3="8.53896"
                           zFract="0.38429163"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1157"
                           xFract="0.25067536"
                           y3="2.1780"
                           yFract="0.25805687"
                           z3="4.22236"
                           zFract="0.1900252"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07695"
                           xFract="0.24608412"
                           y3="2.14605"
                           yFract="0.25427133"
                           z3="8.47052"
                           zFract="0.38121152"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2080"
                           xFract="0.4985782"
                           y3="2.1390"
                           yFract="0.25343602"
                           z3="6.30474"
                           zFract="0.28374167"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29466"
                           xFract="0.7458128"
                           y3="8.39788"
                           yFract="0.99500948"
                           z3="6.37453"
                           zFract="0.28688254"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24708"
                           xFract="0.50320853"
                           y3="0.01722"
                           yFract="0.00204028"
                           z3="4.17827"
                           zFract="0.18804095"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20227"
                           xFract="0.49789929"
                           y3="8.3884"
                           yFract="0.99388626"
                           z3="8.7124"
                           zFract="0.39209721"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32389"
                           xFract="0.74927607"
                           y3="2.23743"
                           yFract="0.26509834"
                           z3="4.19297"
                           zFract="0.18870252"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35735"
                           xFract="0.75324052"
                           y3="2.05481"
                           yFract="0.2434609"
                           z3="8.5308"
                           zFract="0.38392439"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03636"
                           xFract="0.00430806"
                           y3="6.3204"
                           yFract="0.74886256"
                           z3="6.33535"
                           zFract="0.28511926"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06618"
                           xFract="0.24480806"
                           y3="4.26877"
                           yFract="0.50577844"
                           z3="6.42788"
                           zFract="0.28928353"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34158"
                           xFract="0.98833886"
                           y3="4.18149"
                           yFract="0.4954372"
                           z3="4.28735"
                           zFract="0.19295005"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00556"
                           xFract="0.00065877"
                           y3="4.22337"
                           yFract="0.50039929"
                           z3="8.4924"
                           zFract="0.38219622"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2247"
                           xFract="0.26359005"
                           y3="6.24826"
                           yFract="0.74031517"
                           z3="4.19378"
                           zFract="0.18873897"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17532"
                           xFract="0.25773934"
                           y3="6.21594"
                           yFract="0.73648578"
                           z3="8.81799"
                           zFract="0.39684923"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17708"
                           xFract="0.49491469"
                           y3="6.2799"
                           yFract="0.74406398"
                           z3="6.41808"
                           zFract="0.28884248"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35173"
                           xFract="0.75257464"
                           y3="4.2512"
                           yFract="0.50369668"
                           z3="6.41967"
                           zFract="0.28891404"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30604"
                           xFract="0.51019431"
                           y3="4.1821"
                           yFract="0.49550948"
                           z3="4.18225"
                           zFract="0.18822007"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22684"
                           xFract="0.50081043"
                           y3="4.2082"
                           yFract="0.4986019"
                           z3="8.74536"
                           zFract="0.39358056"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22687"
                           xFract="0.73778081"
                           y3="6.18706"
                           yFract="0.73306398"
                           z3="4.28214"
                           zFract="0.19271557"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34321"
                           xFract="0.75156517"
                           y3="6.33468"
                           yFract="0.7505545"
                           z3="8.48251"
                           zFract="0.38175113"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.48">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01645"
                           xFract="0.23891588"
                           y3="6.39947"
                           yFract="0.75823104"
                           z3="9.76527"
                           zFract="0.4394811"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24155"
                           xFract="0.50255332"
                           y3="6.32332"
                           yFract="0.74920853"
                           z3="4.22704"
                           zFract="0.19023582"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09868"
                           xFract="-0.01169194"
                           y3="6.29362"
                           yFract="0.74568957"
                           z3="8.4333"
                           zFract="0.37953645"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31605"
                           xFract="0.74834716"
                           y3="4.22254"
                           yFract="0.50030095"
                           z3="4.21715"
                           zFract="0.18979073"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32142"
                           xFract="0.74898341"
                           y3="6.30437"
                           yFract="0.74696327"
                           z3="6.33302"
                           zFract="0.2850144"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30109"
                           xFract="0.74657464"
                           y3="4.20034"
                           yFract="0.49767062"
                           z3="8.50293"
                           zFract="0.38267012"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4296"
                           xFract="0.99876777"
                           y3="2.12792"
                           yFract="0.25212322"
                           z3="4.22581"
                           zFract="0.19018047"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22619"
                           xFract="0.50073341"
                           y3="2.09882"
                           yFract="0.24867536"
                           z3="4.19724"
                           zFract="0.18889469"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32531"
                           xFract="0.51247749"
                           y3="6.28039"
                           yFract="0.74412204"
                           z3="8.46217"
                           zFract="0.38083573"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31651"
                           xFract="0.74840166"
                           y3="-0.02011"
                           yFract="-0.0023827"
                           z3="8.44729"
                           zFract="0.38016607"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14108"
                           xFract="0.25368246"
                           y3="2.1092"
                           yFract="0.24990521"
                           z3="6.29508"
                           zFract="0.28330693"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13562"
                           xFract="0.25303555"
                           y3="4.1369"
                           yFract="0.49015403"
                           z3="8.45432"
                           zFract="0.38048245"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12516"
                           xFract="0.25179621"
                           y3="6.34096"
                           yFract="0.75129858"
                           z3="6.1841"
                           zFract="0.27831233"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41127"
                           xFract="0.99659597"
                           y3="2.12407"
                           yFract="0.25166706"
                           z3="8.4348"
                           zFract="0.37960396"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40809"
                           xFract="0.99621919"
                           y3="4.24112"
                           yFract="0.50250237"
                           z3="6.36664"
                           zFract="0.28652745"/>
                     <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="2.10994"
                           xFract="0.24999289"
                           y3="-0.00888"
                           yFract="-0.00105213"
                           z3="4.19034"
                           zFract="0.18858416"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23842"
                           xFract="0.50218246"
                           y3="4.21549"
                           yFract="0.49946564"
                           z3="6.39513"
                           zFract="0.28780963"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.0095"
                           xFract="-0.00112559"
                           y3="6.3561"
                           yFract="0.75309242"
                           z3="4.19143"
                           zFract="0.18863321"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22381"
                           xFract="0.50045142"
                           y3="8.42257"
                           yFract="0.99793483"
                           z3="6.34011"
                           zFract="0.28533348"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32034"
                           xFract="0.74885545"
                           y3="8.42542"
                           yFract="0.99827251"
                           z3="4.22786"
                           zFract="0.19027273"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2691"
                           xFract="0.50581754"
                           y3="2.12255"
                           yFract="0.25148697"
                           z3="8.52913"
                           zFract="0.38384923"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1071"
                           xFract="0.2496564"
                           y3="4.21701"
                           yFract="0.49964573"
                           z3="4.2255"
                           zFract="0.19016652"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.0031"
                           xFract="-0.0003673"
                           y3="-0.00662"
                           yFract="-0.00078436"
                           z3="6.35822"
                           zFract="0.28614851"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15688"
                           xFract="0.2555545"
                           y3="0.12937"
                           yFract="0.0153282"
                           z3="8.45233"
                           zFract="0.38039289"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30466"
                           xFract="0.74699763"
                           y3="2.11652"
                           yFract="0.25077251"
                           z3="6.34138"
                           zFract="0.28539064"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02628"
                           xFract="0.00311374"
                           y3="2.1314"
                           yFract="0.25253555"
                           z3="6.3461"
                           zFract="0.28560306"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14295"
                           xFract="0.25390403"
                           y3="-0.03714"
                           yFract="-0.00440047"
                           z3="6.37121"
                           zFract="0.28673312"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40461"
                           xFract="0.99580687"
                           y3="0.06662"
                           yFract="0.00789336"
                           z3="4.24884"
                           zFract="0.19121692"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0323"
                           xFract="0.00382701"
                           y3="8.40293"
                           yFract="0.99560782"
                           z3="8.53874"
                           zFract="0.38428173"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1160"
                           xFract="0.2507109"
                           y3="2.17848"
                           yFract="0.25811374"
                           z3="4.22205"
                           zFract="0.19001125"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07719"
                           xFract="0.24611256"
                           y3="2.14435"
                           yFract="0.25406991"
                           z3="8.4707"
                           zFract="0.38121962"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20771"
                           xFract="0.49854384"
                           y3="2.13892"
                           yFract="0.25342654"
                           z3="6.30525"
                           zFract="0.28376463"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.2948"
                           xFract="0.74582938"
                           y3="8.39769"
                           yFract="0.99498697"
                           z3="6.37413"
                           zFract="0.28686454"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24677"
                           xFract="0.5031718"
                           y3="0.01737"
                           yFract="0.00205806"
                           z3="4.17822"
                           zFract="0.1880387"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20254"
                           xFract="0.49793128"
                           y3="8.38833"
                           yFract="0.99387796"
                           z3="8.71239"
                           zFract="0.39209676"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32391"
                           xFract="0.74927844"
                           y3="2.23799"
                           yFract="0.26516469"
                           z3="4.19255"
                           zFract="0.18868362"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35694"
                           xFract="0.75319194"
                           y3="2.05504"
                           yFract="0.24348815"
                           z3="8.53036"
                           zFract="0.38390459"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03632"
                           xFract="0.00430332"
                           y3="6.32037"
                           yFract="0.748859"
                           z3="6.33596"
                           zFract="0.28514671"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0663"
                           xFract="0.24482227"
                           y3="4.26858"
                           yFract="0.50575592"
                           z3="6.4295"
                           zFract="0.28935644"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34121"
                           xFract="0.98829502"
                           y3="4.18149"
                           yFract="0.4954372"
                           z3="4.28804"
                           zFract="0.1929811"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00555"
                           xFract="0.00065758"
                           y3="4.22327"
                           yFract="0.50038744"
                           z3="8.49303"
                           zFract="0.38222457"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22441"
                           xFract="0.26355569"
                           y3="6.24818"
                           yFract="0.74030569"
                           z3="4.19382"
                           zFract="0.18874077"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17552"
                           xFract="0.25776303"
                           y3="6.21683"
                           yFract="0.73659123"
                           z3="8.81957"
                           zFract="0.39692034"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17726"
                           xFract="0.49493602"
                           y3="6.2801"
                           yFract="0.74408768"
                           z3="6.42025"
                           zFract="0.28894014"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35115"
                           xFract="0.75250592"
                           y3="4.25124"
                           yFract="0.50370142"
                           z3="6.42085"
                           zFract="0.28896715"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3065"
                           xFract="0.51024882"
                           y3="4.18211"
                           yFract="0.49551066"
                           z3="4.18275"
                           zFract="0.18824257"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22629"
                           xFract="0.50074526"
                           y3="4.20883"
                           yFract="0.49867654"
                           z3="8.74542"
                           zFract="0.39358326"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2270"
                           xFract="0.73779621"
                           y3="6.18673"
                           yFract="0.73302488"
                           z3="4.28265"
                           zFract="0.19273852"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34332"
                           xFract="0.7515782"
                           y3="6.33445"
                           yFract="0.75052725"
                           z3="8.48266"
                           zFract="0.38175788"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.49">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01849"
                           xFract="0.23915758"
                           y3="6.39543"
                           yFract="0.75775237"
                           z3="9.77345"
                           zFract="0.43984923"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24217"
                           xFract="0.50262678"
                           y3="6.32323"
                           yFract="0.74919787"
                           z3="4.22819"
                           zFract="0.19028758"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09836"
                           xFract="-0.01165403"
                           y3="6.29332"
                           yFract="0.74565403"
                           z3="8.43641"
                           zFract="0.37967642"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31575"
                           xFract="0.74831161"
                           y3="4.22229"
                           yFract="0.50027133"
                           z3="4.21708"
                           zFract="0.18978758"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32132"
                           xFract="0.74897156"
                           y3="6.30426"
                           yFract="0.74695024"
                           z3="6.33447"
                           zFract="0.28507966"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30251"
                           xFract="0.74674289"
                           y3="4.20117"
                           yFract="0.49776896"
                           z3="8.50402"
                           zFract="0.38271917"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43126"
                           xFract="0.99896445"
                           y3="2.12809"
                           yFract="0.25214336"
                           z3="4.2247"
                           zFract="0.19013051"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22499"
                           xFract="0.50059123"
                           y3="2.09731"
                           yFract="0.24849645"
                           z3="4.20053"
                           zFract="0.18904275"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32288"
                           xFract="0.51218957"
                           y3="6.28028"
                           yFract="0.744109"
                           z3="8.46347"
                           zFract="0.38089424"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31902"
                           xFract="0.74869905"
                           y3="-0.02117"
                           yFract="-0.00250829"
                           z3="8.44786"
                           zFract="0.38019172"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13995"
                           xFract="0.25354858"
                           y3="2.1090"
                           yFract="0.24988152"
                           z3="6.29698"
                           zFract="0.28339244"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13439"
                           xFract="0.25288981"
                           y3="4.13837"
                           yFract="0.4903282"
                           z3="8.45711"
                           zFract="0.38060801"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12477"
                           xFract="0.25175"
                           y3="6.34042"
                           yFract="0.7512346"
                           z3="6.1827"
                           zFract="0.27824932"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41172"
                           xFract="0.99664929"
                           y3="2.12345"
                           yFract="0.2515936"
                           z3="8.43703"
                           zFract="0.37970432"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40792"
                           xFract="0.99619905"
                           y3="4.24035"
                           yFract="0.50241114"
                           z3="6.36818"
                           zFract="0.28659676"/>
                     <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="2.11034"
                           xFract="0.25004028"
                           y3="-0.00878"
                           yFract="-0.00104028"
                           z3="4.19015"
                           zFract="0.18857561"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2388"
                           xFract="0.50222749"
                           y3="4.21551"
                           yFract="0.49946801"
                           z3="6.39717"
                           zFract="0.28790144"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00874"
                           xFract="-0.00103555"
                           y3="6.35656"
                           yFract="0.75314692"
                           z3="4.19209"
                           zFract="0.18866292"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22378"
                           xFract="0.50044787"
                           y3="8.42226"
                           yFract="0.9978981"
                           z3="6.34119"
                           zFract="0.28538209"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32113"
                           xFract="0.74894905"
                           y3="8.42424"
                           yFract="0.9981327"
                           z3="4.22734"
                           zFract="0.19024932"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26738"
                           xFract="0.50561374"
                           y3="2.12263"
                           yFract="0.25149645"
                           z3="8.5312"
                           zFract="0.38394239"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10738"
                           xFract="0.24968957"
                           y3="4.21746"
                           yFract="0.49969905"
                           z3="4.22565"
                           zFract="0.19017327"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00403"
                           xFract="-0.00047749"
                           y3="-0.0060"
                           yFract="-0.0007109"
                           z3="6.3587"
                           zFract="0.28617012"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15619"
                           xFract="0.25547275"
                           y3="0.12753"
                           yFract="0.01511019"
                           z3="8.45487"
                           zFract="0.3805072"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30483"
                           xFract="0.74701777"
                           y3="2.11646"
                           yFract="0.2507654"
                           z3="6.34249"
                           zFract="0.28544059"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02659"
                           xFract="0.00315047"
                           y3="2.1311"
                           yFract="0.2525"
                           z3="6.34764"
                           zFract="0.28567237"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14309"
                           xFract="0.25392062"
                           y3="-0.03632"
                           yFract="-0.00430332"
                           z3="6.37439"
                           zFract="0.28687624"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40577"
                           xFract="0.99594431"
                           y3="0.06718"
                           yFract="0.00795972"
                           z3="4.24886"
                           zFract="0.19121782"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03145"
                           xFract="0.0037263"
                           y3="8.40474"
                           yFract="0.99582227"
                           z3="8.5383"
                           zFract="0.38426193"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1166"
                           xFract="0.25078199"
                           y3="2.17944"
                           yFract="0.25822749"
                           z3="4.22144"
                           zFract="0.1899838"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07767"
                           xFract="0.24616943"
                           y3="2.14097"
                           yFract="0.25366943"
                           z3="8.47106"
                           zFract="0.38123582"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20713"
                           xFract="0.49847512"
                           y3="2.13877"
                           yFract="0.25340877"
                           z3="6.30628"
                           zFract="0.28381098"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29508"
                           xFract="0.74586256"
                           y3="8.39731"
                           yFract="0.99494194"
                           z3="6.37335"
                           zFract="0.28682943"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24615"
                           xFract="0.50309834"
                           y3="0.01766"
                           yFract="0.00209242"
                           z3="4.17812"
                           zFract="0.1880342"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20309"
                           xFract="0.49799645"
                           y3="8.38818"
                           yFract="0.99386019"
                           z3="8.71237"
                           zFract="0.39209586"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32395"
                           xFract="0.74928318"
                           y3="2.2391"
                           yFract="0.26529621"
                           z3="4.19172"
                           zFract="0.18864626"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35613"
                           xFract="0.75309597"
                           y3="2.05551"
                           yFract="0.24354384"
                           z3="8.52949"
                           zFract="0.38386544"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03622"
                           xFract="0.00429147"
                           y3="6.32031"
                           yFract="0.7488519"
                           z3="6.33717"
                           zFract="0.28520117"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06656"
                           xFract="0.24485308"
                           y3="4.26819"
                           yFract="0.50570972"
                           z3="6.43274"
                           zFract="0.28950225"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34047"
                           xFract="0.98820735"
                           y3="4.18149"
                           yFract="0.4954372"
                           z3="4.28942"
                           zFract="0.1930432"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00554"
                           xFract="0.0006564"
                           y3="4.22306"
                           yFract="0.50036256"
                           z3="8.49431"
                           zFract="0.38228218"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22383"
                           xFract="0.26348697"
                           y3="6.24803"
                           yFract="0.74028791"
                           z3="4.19388"
                           zFract="0.18874347"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17592"
                           xFract="0.25781043"
                           y3="6.2186"
                           yFract="0.73680095"
                           z3="8.82273"
                           zFract="0.39706256"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17764"
                           xFract="0.49498104"
                           y3="6.28049"
                           yFract="0.74413389"
                           z3="6.42458"
                           zFract="0.28913501"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34997"
                           xFract="0.75236611"
                           y3="4.2513"
                           yFract="0.50370853"
                           z3="6.42322"
                           zFract="0.28907381"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30744"
                           xFract="0.51036019"
                           y3="4.18213"
                           yFract="0.49551303"
                           z3="4.18374"
                           zFract="0.18828713"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2252"
                           xFract="0.50061611"
                           y3="4.21009"
                           yFract="0.49882583"
                           z3="8.74556"
                           zFract="0.39358956"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22726"
                           xFract="0.73782701"
                           y3="6.18606"
                           yFract="0.7329455"
                           z3="4.28367"
                           zFract="0.19278443"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34353"
                           xFract="0.75160308"
                           y3="6.33399"
                           yFract="0.75047275"
                           z3="8.48294"
                           zFract="0.38177048"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.50">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01793"
                           xFract="0.23909123"
                           y3="6.39654"
                           yFract="0.75788389"
                           z3="9.77119"
                           zFract="0.43974752"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2420"
                           xFract="0.50260664"
                           y3="6.32325"
                           yFract="0.74920024"
                           z3="4.22787"
                           zFract="0.19027318"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09845"
                           xFract="-0.01166469"
                           y3="6.2934"
                           yFract="0.74566351"
                           z3="8.43555"
                           zFract="0.37963771"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31583"
                           xFract="0.74832109"
                           y3="4.22236"
                           yFract="0.50027962"
                           z3="4.2171"
                           zFract="0.18978848"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32134"
                           xFract="0.74897393"
                           y3="6.30429"
                           yFract="0.74695379"
                           z3="6.33407"
                           zFract="0.28506166"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30212"
                           xFract="0.74669668"
                           y3="4.20094"
                           yFract="0.49774171"
                           z3="8.50372"
                           zFract="0.38270567"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4308"
                           xFract="0.99890995"
                           y3="2.12804"
                           yFract="0.25213744"
                           z3="4.2250"
                           zFract="0.19014401"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22532"
                           xFract="0.50063033"
                           y3="2.09773"
                           yFract="0.24854621"
                           z3="4.19963"
                           zFract="0.18900225"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32355"
                           xFract="0.51226896"
                           y3="6.28031"
                           yFract="0.74411256"
                           z3="8.46311"
                           zFract="0.38087804"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31833"
                           xFract="0.7486173"
                           y3="-0.02088"
                           yFract="-0.00247393"
                           z3="8.4477"
                           zFract="0.38018452"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14026"
                           xFract="0.25358531"
                           y3="2.10906"
                           yFract="0.24988863"
                           z3="6.29646"
                           zFract="0.28336904"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13473"
                           xFract="0.25293009"
                           y3="4.13797"
                           yFract="0.49028081"
                           z3="8.45634"
                           zFract="0.38057336"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12488"
                           xFract="0.25176303"
                           y3="6.34057"
                           yFract="0.75125237"
                           z3="6.18309"
                           zFract="0.27826688"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.4116"
                           xFract="0.99663507"
                           y3="2.12363"
                           yFract="0.25161493"
                           z3="8.43642"
                           zFract="0.37967687"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40797"
                           xFract="0.99620498"
                           y3="4.24056"
                           yFract="0.50243602"
                           z3="6.36776"
                           zFract="0.28657786"/>
                     <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="2.11023"
                           xFract="0.25002725"
                           y3="-0.00881"
                           yFract="-0.00104384"
                           z3="4.1902"
                           zFract="0.18857786"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2387"
                           xFract="0.50221564"
                           y3="4.2155"
                           yFract="0.49946682"
                           z3="6.39661"
                           zFract="0.28787624"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00895"
                           xFract="-0.00106043"
                           y3="6.35643"
                           yFract="0.75313152"
                           z3="4.19191"
                           zFract="0.18865482"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22379"
                           xFract="0.50044905"
                           y3="8.42234"
                           yFract="0.99790758"
                           z3="6.34089"
                           zFract="0.28536859"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32091"
                           xFract="0.74892299"
                           y3="8.42457"
                           yFract="0.9981718"
                           z3="4.22748"
                           zFract="0.19025563"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26786"
                           xFract="0.50567062"
                           y3="2.12261"
                           yFract="0.25149408"
                           z3="8.53063"
                           zFract="0.38391674"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1073"
                           xFract="0.24968009"
                           y3="4.21733"
                           yFract="0.49968365"
                           z3="4.22561"
                           zFract="0.19017147"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00377"
                           xFract="-0.00044668"
                           y3="-0.00617"
                           yFract="-0.00073104"
                           z3="6.35857"
                           zFract="0.28616427"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15638"
                           xFract="0.25549526"
                           y3="0.12804"
                           yFract="0.01517062"
                           z3="8.45417"
                           zFract="0.3804757"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30478"
                           xFract="0.74701185"
                           y3="2.11648"
                           yFract="0.25076777"
                           z3="6.34218"
                           zFract="0.28542664"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0265"
                           xFract="0.00313981"
                           y3="2.13119"
                           yFract="0.25251066"
                           z3="6.34721"
                           zFract="0.28565302"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14305"
                           xFract="0.25391588"
                           y3="-0.03655"
                           yFract="-0.00433057"
                           z3="6.37351"
                           zFract="0.28683663"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40545"
                           xFract="0.9959064"
                           y3="0.06702"
                           yFract="0.00794076"
                           z3="4.24885"
                           zFract="0.19121737"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03169"
                           xFract="0.00375474"
                           y3="8.40424"
                           yFract="0.99576303"
                           z3="8.53842"
                           zFract="0.38426733"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11644"
                           xFract="0.25076303"
                           y3="2.17918"
                           yFract="0.25819668"
                           z3="4.22161"
                           zFract="0.18999145"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07753"
                           xFract="0.24615284"
                           y3="2.1419"
                           yFract="0.25377962"
                           z3="8.47096"
                           zFract="0.38123132"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20729"
                           xFract="0.49849408"
                           y3="2.13882"
                           yFract="0.25341469"
                           z3="6.3060"
                           zFract="0.28379838"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.2950"
                           xFract="0.74585308"
                           y3="8.39742"
                           yFract="0.99495498"
                           z3="6.37356"
                           zFract="0.28683888"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24632"
                           xFract="0.50311848"
                           y3="0.01758"
                           yFract="0.00208294"
                           z3="4.17814"
                           zFract="0.1880351"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20294"
                           xFract="0.49797867"
                           y3="8.38822"
                           yFract="0.99386493"
                           z3="8.71238"
                           zFract="0.39209631"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32394"
                           xFract="0.74928199"
                           y3="2.23879"
                           yFract="0.26525948"
                           z3="4.19195"
                           zFract="0.18865662"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35636"
                           xFract="0.75312322"
                           y3="2.05538"
                           yFract="0.24352844"
                           z3="8.52973"
                           zFract="0.38387624"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03625"
                           xFract="0.00429502"
                           y3="6.32032"
                           yFract="0.74885308"
                           z3="6.33683"
                           zFract="0.28518587"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06649"
                           xFract="0.24484479"
                           y3="4.26829"
                           yFract="0.50572156"
                           z3="6.43185"
                           zFract="0.2894622"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34067"
                           xFract="0.98823104"
                           y3="4.18149"
                           yFract="0.4954372"
                           z3="4.28904"
                           zFract="0.1930261"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00554"
                           xFract="0.0006564"
                           y3="4.22311"
                           yFract="0.50036848"
                           z3="8.49395"
                           zFract="0.38226598"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22399"
                           xFract="0.26350592"
                           y3="6.24807"
                           yFract="0.74029265"
                           z3="4.19386"
                           zFract="0.18874257"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17581"
                           xFract="0.25779739"
                           y3="6.21811"
                           yFract="0.73674289"
                           z3="8.82186"
                           zFract="0.3970234"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17754"
                           xFract="0.49496919"
                           y3="6.28038"
                           yFract="0.74412085"
                           z3="6.42339"
                           zFract="0.28908146"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3503"
                           xFract="0.75240521"
                           y3="4.25128"
                           yFract="0.50370616"
                           z3="6.42257"
                           zFract="0.28904455"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30718"
                           xFract="0.51032938"
                           y3="4.18212"
                           yFract="0.49551185"
                           z3="4.18347"
                           zFract="0.18827498"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22551"
                           xFract="0.50065284"
                           y3="4.20974"
                           yFract="0.49878436"
                           z3="8.74552"
                           zFract="0.39358776"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22719"
                           xFract="0.73781872"
                           y3="6.18625"
                           yFract="0.73296801"
                           z3="4.28339"
                           zFract="0.19277183"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34348"
                           xFract="0.75159716"
                           y3="6.33412"
                           yFract="0.75048815"
                           z3="8.48286"
                           zFract="0.38176688"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.51">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01827"
                           xFract="0.23913152"
                           y3="6.39594"
                           yFract="0.7578128"
                           z3="9.77184"
                           zFract="0.43977678"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24208"
                           xFract="0.50261611"
                           y3="6.32325"
                           yFract="0.74920024"
                           z3="4.22801"
                           zFract="0.19027948"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09838"
                           xFract="-0.0116564"
                           y3="6.29338"
                           yFract="0.74566114"
                           z3="8.43591"
                           zFract="0.37965392"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31582"
                           xFract="0.74831991"
                           y3="4.22232"
                           yFract="0.50027488"
                           z3="4.21712"
                           zFract="0.18978938"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32134"
                           xFract="0.74897393"
                           y3="6.30427"
                           yFract="0.74695142"
                           z3="6.33427"
                           zFract="0.28507066"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30222"
                           xFract="0.74670853"
                           y3="4.20102"
                           yFract="0.49775118"
                           z3="8.50388"
                           zFract="0.38271287"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43095"
                           xFract="0.99892773"
                           y3="2.12808"
                           yFract="0.25214218"
                           z3="4.22492"
                           zFract="0.19014041"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22523"
                           xFract="0.50061967"
                           y3="2.09762"
                           yFract="0.24853318"
                           z3="4.19995"
                           zFract="0.18901665"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32337"
                           xFract="0.51224763"
                           y3="6.28033"
                           yFract="0.74411493"
                           z3="8.46334"
                           zFract="0.38088839"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31856"
                           xFract="0.74864455"
                           y3="-0.02098"
                           yFract="-0.00248578"
                           z3="8.44775"
                           zFract="0.38018677"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14016"
                           xFract="0.25357346"
                           y3="2.10904"
                           yFract="0.24988626"
                           z3="6.29667"
                           zFract="0.28337849"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1346"
                           xFract="0.25291469"
                           y3="4.13813"
                           yFract="0.49029976"
                           z3="8.45667"
                           zFract="0.38058821"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12484"
                           xFract="0.25175829"
                           y3="6.34051"
                           yFract="0.75124526"
                           z3="6.18299"
                           zFract="0.27826238"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41162"
                           xFract="0.99663744"
                           y3="2.12355"
                           yFract="0.25160545"
                           z3="8.43666"
                           zFract="0.37968767"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40795"
                           xFract="0.99620261"
                           y3="4.2405"
                           yFract="0.50242891"
                           z3="6.36795"
                           zFract="0.28658641"/>
                     <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="2.11028"
                           xFract="0.25003318"
                           y3="-0.00878"
                           yFract="-0.00104028"
                           z3="4.19021"
                           zFract="0.18857831"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23871"
                           xFract="0.50221682"
                           y3="4.2155"
                           yFract="0.49946682"
                           z3="6.39689"
                           zFract="0.28788884"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00888"
                           xFract="-0.00105213"
                           y3="6.35648"
                           yFract="0.75313744"
                           z3="4.19199"
                           zFract="0.18865842"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22379"
                           xFract="0.50044905"
                           y3="8.42231"
                           yFract="0.99790403"
                           z3="6.34106"
                           zFract="0.28537624"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32099"
                           xFract="0.74893246"
                           y3="8.42444"
                           yFract="0.9981564"
                           z3="4.22743"
                           zFract="0.19025338"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26768"
                           xFract="0.50564929"
                           y3="2.1226"
                           yFract="0.25149289"
                           z3="8.53087"
                           zFract="0.38392754"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10734"
                           xFract="0.24968483"
                           y3="4.21737"
                           yFract="0.49968839"
                           z3="4.22565"
                           zFract="0.19017327"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00385"
                           xFract="-0.00045616"
                           y3="-0.00612"
                           yFract="-0.00072512"
                           z3="6.3586"
                           zFract="0.28616562"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15632"
                           xFract="0.25548815"
                           y3="0.12781"
                           yFract="0.01514336"
                           z3="8.45448"
                           zFract="0.38048965"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30479"
                           xFract="0.74701303"
                           y3="2.11647"
                           yFract="0.25076659"
                           z3="6.3423"
                           zFract="0.28543204"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02652"
                           xFract="0.00314218"
                           y3="2.13117"
                           yFract="0.25250829"
                           z3="6.34738"
                           zFract="0.28566067"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14304"
                           xFract="0.25391469"
                           y3="-0.0365"
                           yFract="-0.00432464"
                           z3="6.37383"
                           zFract="0.28685104"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40562"
                           xFract="0.99592654"
                           y3="0.06708"
                           yFract="0.00794787"
                           z3="4.24885"
                           zFract="0.19121737"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03157"
                           xFract="0.00374052"
                           y3="8.40442"
                           yFract="0.99578436"
                           z3="8.53844"
                           zFract="0.38426823"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11649"
                           xFract="0.25076896"
                           y3="2.1793"
                           yFract="0.2582109"
                           z3="4.22162"
                           zFract="0.1899919"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07758"
                           xFract="0.24615877"
                           y3="2.14154"
                           yFract="0.25373697"
                           z3="8.47111"
                           zFract="0.38123807"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20723"
                           xFract="0.49848697"
                           y3="2.13879"
                           yFract="0.25341114"
                           z3="6.30613"
                           zFract="0.28380423"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29503"
                           xFract="0.74585664"
                           y3="8.39737"
                           yFract="0.99494905"
                           z3="6.37346"
                           zFract="0.28683438"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24624"
                           xFract="0.503109"
                           y3="0.01757"
                           yFract="0.00208175"
                           z3="4.17817"
                           zFract="0.18803645"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20302"
                           xFract="0.49798815"
                           y3="8.38823"
                           yFract="0.99386611"
                           z3="8.71241"
                           zFract="0.39209766"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32394"
                           xFract="0.74928199"
                           y3="2.23891"
                           yFract="0.2652737"
                           z3="4.19191"
                           zFract="0.18865482"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35628"
                           xFract="0.75311374"
                           y3="2.05544"
                           yFract="0.24353555"
                           z3="8.52966"
                           zFract="0.38387309"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03625"
                           xFract="0.00429502"
                           y3="6.32032"
                           yFract="0.74885308"
                           z3="6.3370"
                           zFract="0.28519352"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06651"
                           xFract="0.24484716"
                           y3="4.2683"
                           yFract="0.50572275"
                           z3="6.43214"
                           zFract="0.28947525"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34058"
                           xFract="0.98822038"
                           y3="4.1815"
                           yFract="0.49543839"
                           z3="4.2892"
                           zFract="0.1930333"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00555"
                           xFract="0.00065758"
                           y3="4.22308"
                           yFract="0.50036493"
                           z3="8.49418"
                           zFract="0.38227633"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22396"
                           xFract="0.26350237"
                           y3="6.24802"
                           yFract="0.74028673"
                           z3="4.19388"
                           zFract="0.18874347"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17571"
                           xFract="0.25778555"
                           y3="6.21841"
                           yFract="0.73677844"
                           z3="8.82279"
                           zFract="0.39706526"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17749"
                           xFract="0.49496327"
                           y3="6.28044"
                           yFract="0.74412796"
                           z3="6.42378"
                           zFract="0.28909901"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35019"
                           xFract="0.75239218"
                           y3="4.25128"
                           yFract="0.50370616"
                           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="4.30728"
                           xFract="0.51034123"
                           y3="4.18212"
                           yFract="0.49551185"
                           z3="4.1836"
                           zFract="0.18828083"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22538"
                           xFract="0.50063744"
                           y3="4.20984"
                           yFract="0.49879621"
                           z3="8.74559"
                           zFract="0.39359091"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22721"
                           xFract="0.73782109"
                           y3="6.18614"
                           yFract="0.73295498"
                           z3="4.28353"
                           zFract="0.19277813"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34348"
                           xFract="0.75159716"
                           y3="6.33405"
                           yFract="0.75047986"
                           z3="8.48293"
                           zFract="0.38177003"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.52">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.0193"
                           xFract="0.23925355"
                           y3="6.39413"
                           yFract="0.75759834"
                           z3="9.77378"
                           zFract="0.43986409"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24231"
                           xFract="0.50264336"
                           y3="6.32323"
                           yFract="0.74919787"
                           z3="4.22844"
                           zFract="0.19029883"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09819"
                           xFract="-0.01163389"
                           y3="6.29333"
                           yFract="0.74565521"
                           z3="8.43698"
                           zFract="0.37970207"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31577"
                           xFract="0.74831398"
                           y3="4.2222"
                           yFract="0.50026066"
                           z3="4.21717"
                           zFract="0.18979163"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32134"
                           xFract="0.74897393"
                           y3="6.30421"
                           yFract="0.74694431"
                           z3="6.33486"
                           zFract="0.28509721"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30251"
                           xFract="0.74674289"
                           y3="4.20127"
                           yFract="0.49778081"
                           z3="8.50437"
                           zFract="0.38273492"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43139"
                           xFract="0.99897986"
                           y3="2.12819"
                           yFract="0.25215521"
                           z3="4.22468"
                           zFract="0.19012961"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22495"
                           xFract="0.50058649"
                           y3="2.0973"
                           yFract="0.24849526"
                           z3="4.2009"
                           zFract="0.18905941"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32281"
                           xFract="0.51218128"
                           y3="6.28039"
                           yFract="0.74412204"
                           z3="8.46402"
                           zFract="0.38091899"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31924"
                           xFract="0.74872512"
                           y3="-0.02129"
                           yFract="-0.00252251"
                           z3="8.44789"
                           zFract="0.38019307"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13985"
                           xFract="0.25353673"
                           y3="2.10898"
                           yFract="0.24987915"
                           z3="6.29731"
                           zFract="0.28340729"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13423"
                           xFract="0.25287085"
                           y3="4.13862"
                           yFract="0.49035782"
                           z3="8.45767"
                           zFract="0.38063321"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12474"
                           xFract="0.25174645"
                           y3="6.34033"
                           yFract="0.75122393"
                           z3="6.1827"
                           zFract="0.27824932"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.4117"
                           xFract="0.99664692"
                           y3="2.12333"
                           yFract="0.25157938"
                           z3="8.43741"
                           zFract="0.37972142"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40789"
                           xFract="0.9961955"
                           y3="4.2403"
                           yFract="0.50240521"
                           z3="6.36853"
                           zFract="0.28661251"/>
                     <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="2.11045"
                           xFract="0.25005332"
                           y3="-0.00869"
                           yFract="-0.00102962"
                           z3="4.19023"
                           zFract="0.18857921"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23874"
                           xFract="0.50222038"
                           y3="4.2155"
                           yFract="0.49946682"
                           z3="6.39773"
                           zFract="0.28792664"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00867"
                           xFract="-0.00102725"
                           y3="6.35664"
                           yFract="0.7531564"
                           z3="4.19225"
                           zFract="0.18867012"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22381"
                           xFract="0.50045142"
                           y3="8.42222"
                           yFract="0.99789336"
                           z3="6.34155"
                           zFract="0.28539829"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32123"
                           xFract="0.7489609"
                           y3="8.42407"
                           yFract="0.99811256"
                           z3="4.22728"
                           zFract="0.19024662"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26717"
                           xFract="0.50558886"
                           y3="2.12258"
                           yFract="0.25149052"
                           z3="8.53161"
                           zFract="0.38396085"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10746"
                           xFract="0.24969905"
                           y3="4.21747"
                           yFract="0.49970024"
                           z3="4.22579"
                           zFract="0.19017957"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00409"
                           xFract="-0.0004846"
                           y3="-0.00598"
                           yFract="-0.00070853"
                           z3="6.35871"
                           zFract="0.28617057"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15615"
                           xFract="0.25546801"
                           y3="0.12711"
                           yFract="0.01506043"
                           z3="8.4554"
                           zFract="0.38053105"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30482"
                           xFract="0.74701659"
                           y3="2.11643"
                           yFract="0.25076185"
                           z3="6.34265"
                           zFract="0.28544779"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02658"
                           xFract="0.00314929"
                           y3="2.1311"
                           yFract="0.2525"
                           z3="6.34786"
                           zFract="0.28568227"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14301"
                           xFract="0.25391114"
                           y3="-0.03637"
                           yFract="-0.00430924"
                           z3="6.37481"
                           zFract="0.28689514"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40612"
                           xFract="0.99598578"
                           y3="0.06725"
                           yFract="0.00796801"
                           z3="4.24885"
                           zFract="0.19121737"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0312"
                           xFract="0.00369668"
                           y3="8.40496"
                           yFract="0.99584834"
                           z3="8.5385"
                           zFract="0.38427093"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11667"
                           xFract="0.25079028"
                           y3="2.17968"
                           yFract="0.25825592"
                           z3="4.22165"
                           zFract="0.18999325"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07772"
                           xFract="0.24617536"
                           y3="2.14044"
                           yFract="0.25360664"
                           z3="8.47157"
                           zFract="0.38125878"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20702"
                           xFract="0.49846209"
                           y3="2.1387"
                           yFract="0.25340047"
                           z3="6.30652"
                           zFract="0.28382178"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29512"
                           xFract="0.7458673"
                           y3="8.39724"
                           yFract="0.99493365"
                           z3="6.37315"
                           zFract="0.28682043"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24599"
                           xFract="0.50307938"
                           y3="0.01755"
                           yFract="0.00207938"
                           z3="4.17825"
                           zFract="0.18804005"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20328"
                           xFract="0.49801896"
                           y3="8.38825"
                           yFract="0.99386848"
                           z3="8.7125"
                           zFract="0.39210171"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32395"
                           xFract="0.74928318"
                           y3="2.23926"
                           yFract="0.26531517"
                           z3="4.19179"
                           zFract="0.18864941"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35604"
                           xFract="0.75308531"
                           y3="2.05563"
                           yFract="0.24355806"
                           z3="8.52945"
                           zFract="0.38386364"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03626"
                           xFract="0.00429621"
                           y3="6.3203"
                           yFract="0.74885071"
                           z3="6.3375"
                           zFract="0.28521602"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06657"
                           xFract="0.24485427"
                           y3="4.2683"
                           yFract="0.50572275"
                           z3="6.4330"
                           zFract="0.28951395"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.34029"
                           xFract="0.98818602"
                           y3="4.18153"
                           yFract="0.49544194"
                           z3="4.2897"
                           zFract="0.19305581"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00558"
                           xFract="0.00066114"
                           y3="4.22296"
                           yFract="0.50035071"
                           z3="8.49487"
                           zFract="0.38230738"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22389"
                           xFract="0.26349408"
                           y3="6.24787"
                           yFract="0.74026896"
                           z3="4.19391"
                           zFract="0.18874482"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17543"
                           xFract="0.25775237"
                           y3="6.21931"
                           yFract="0.73688507"
                           z3="8.82557"
                           zFract="0.39719037"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17736"
                           xFract="0.49494787"
                           y3="6.2806"
                           yFract="0.74414692"
                           z3="6.42496"
                           zFract="0.28915212"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34988"
                           xFract="0.75235545"
                           y3="4.25127"
                           yFract="0.50370498"
                           z3="6.42362"
                           zFract="0.28909181"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30757"
                           xFract="0.51037559"
                           y3="4.18212"
                           yFract="0.49551185"
                           z3="4.18399"
                           zFract="0.18829838"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22501"
                           xFract="0.5005936"
                           y3="4.21015"
                           yFract="0.49883294"
                           z3="8.74579"
                           zFract="0.39359991"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2273"
                           xFract="0.73783175"
                           y3="6.18582"
                           yFract="0.73291706"
                           z3="4.28395"
                           zFract="0.19279703"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34351"
                           xFract="0.75160071"
                           y3="6.33383"
                           yFract="0.75045379"
                           z3="8.48314"
                           zFract="0.38177948"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.53">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.02136"
                           xFract="0.23949763"
                           y3="6.39051"
                           yFract="0.75716943"
                           z3="9.77765"
                           zFract="0.44003825"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24277"
                           xFract="0.50269787"
                           y3="6.32319"
                           yFract="0.74919313"
                           z3="4.2293"
                           zFract="0.19033753"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09781"
                           xFract="-0.01158886"
                           y3="6.29321"
                           yFract="0.745641"
                           z3="8.43911"
                           zFract="0.37979793"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31569"
                           xFract="0.7483045"
                           y3="4.22196"
                           yFract="0.50023223"
                           z3="4.21729"
                           zFract="0.18979703"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32134"
                           xFract="0.74897393"
                           y3="6.30409"
                           yFract="0.74693009"
                           z3="6.33603"
                           zFract="0.28514986"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3031"
                           xFract="0.7468128"
                           y3="4.20177"
                           yFract="0.49784005"
                           z3="8.50533"
                           zFract="0.38277813"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43227"
                           xFract="0.99908412"
                           y3="2.12841"
                           yFract="0.25218128"
                           z3="4.22419"
                           zFract="0.19010756"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22439"
                           xFract="0.50052014"
                           y3="2.09667"
                           yFract="0.24842062"
                           z3="4.20282"
                           zFract="0.18914581"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32171"
                           xFract="0.51205095"
                           y3="6.28052"
                           yFract="0.74413744"
                           z3="8.46537"
                           zFract="0.38097975"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32062"
                           xFract="0.74888863"
                           y3="-0.02191"
                           yFract="-0.00259597"
                           z3="8.44817"
                           zFract="0.38020567"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13924"
                           xFract="0.25346445"
                           y3="2.10888"
                           yFract="0.2498673"
                           z3="6.29859"
                           zFract="0.2834649"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13348"
                           xFract="0.25278199"
                           y3="4.13961"
                           yFract="0.49047512"
                           z3="8.45967"
                           zFract="0.38072322"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12453"
                           xFract="0.25172156"
                           y3="6.33998"
                           yFract="0.75118246"
                           z3="6.18213"
                           zFract="0.27822367"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41186"
                           xFract="0.99666588"
                           y3="2.12289"
                           yFract="0.25152725"
                           z3="8.43889"
                           zFract="0.37978803"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40779"
                           xFract="0.99618365"
                           y3="4.2399"
                           yFract="0.50235782"
                           z3="6.3697"
                           zFract="0.28666517"/>
                     <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="2.11079"
                           xFract="0.2500936"
                           y3="-0.0085"
                           yFract="-0.00100711"
                           z3="4.19027"
                           zFract="0.18858101"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2388"
                           xFract="0.50222749"
                           y3="4.21548"
                           yFract="0.49946445"
                           z3="6.39942"
                           zFract="0.2880027"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00824"
                           xFract="-0.0009763"
                           y3="6.35694"
                           yFract="0.75319194"
                           z3="4.19277"
                           zFract="0.18869352"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22385"
                           xFract="0.50045616"
                           y3="8.42203"
                           yFract="0.99787085"
                           z3="6.34255"
                           zFract="0.28544329"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32172"
                           xFract="0.74901896"
                           y3="8.42332"
                           yFract="0.9980237"
                           z3="4.22698"
                           zFract="0.19023312"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26614"
                           xFract="0.50546682"
                           y3="2.12254"
                           yFract="0.25148578"
                           z3="8.53308"
                           zFract="0.384027"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1077"
                           xFract="0.24972749"
                           y3="4.21768"
                           yFract="0.49972512"
                           z3="4.22606"
                           zFract="0.19019172"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00456"
                           xFract="-0.00054028"
                           y3="-0.0057"
                           yFract="-0.00067536"
                           z3="6.35893"
                           zFract="0.28618047"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1558"
                           xFract="0.25542654"
                           y3="0.12572"
                           yFract="0.01489573"
                           z3="8.45726"
                           zFract="0.38061476"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30487"
                           xFract="0.74702251"
                           y3="2.11636"
                           yFract="0.25075355"
                           z3="6.34335"
                           zFract="0.2854793"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02669"
                           xFract="0.00316232"
                           y3="2.13098"
                           yFract="0.25248578"
                           z3="6.34883"
                           zFract="0.28572592"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14295"
                           xFract="0.25390403"
                           y3="-0.03612"
                           yFract="-0.00427962"
                           z3="6.37676"
                           zFract="0.2869829"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40714"
                           xFract="0.99610664"
                           y3="0.06759"
                           yFract="0.00800829"
                           z3="4.24885"
                           zFract="0.19121737"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03047"
                           xFract="0.00361019"
                           y3="8.40604"
                           yFract="0.9959763"
                           z3="8.53862"
                           zFract="0.38427633"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11701"
                           xFract="0.25083057"
                           y3="2.18042"
                           yFract="0.2583436"
                           z3="4.22173"
                           zFract="0.18999685"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0780"
                           xFract="0.24620853"
                           y3="2.13825"
                           yFract="0.25334716"
                           z3="8.47247"
                           zFract="0.38129928"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20661"
                           xFract="0.49841351"
                           y3="2.13853"
                           yFract="0.25338033"
                           z3="6.3073"
                           zFract="0.28385689"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29529"
                           xFract="0.74588744"
                           y3="8.39697"
                           yFract="0.99490166"
                           z3="6.37254"
                           zFract="0.28679298"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24549"
                           xFract="0.50302014"
                           y3="0.01752"
                           yFract="0.00207583"
                           z3="4.17842"
                           zFract="0.1880477"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2038"
                           xFract="0.49808057"
                           y3="8.38829"
                           yFract="0.99387322"
                           z3="8.71267"
                           zFract="0.39210936"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32396"
                           xFract="0.74928436"
                           y3="2.23995"
                           yFract="0.26539692"
                           z3="4.19155"
                           zFract="0.18863861"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35556"
                           xFract="0.75302844"
                           y3="2.05601"
                           yFract="0.24360308"
                           z3="8.52903"
                           zFract="0.38384473"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03627"
                           xFract="0.00429739"
                           y3="6.32028"
                           yFract="0.74884834"
                           z3="6.3385"
                           zFract="0.28526103"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0667"
                           xFract="0.24486967"
                           y3="4.2683"
                           yFract="0.50572275"
                           z3="6.43472"
                           zFract="0.28959136"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33972"
                           xFract="0.98811848"
                           y3="4.18159"
                           yFract="0.49544905"
                           z3="4.29068"
                           zFract="0.19309991"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00565"
                           xFract="0.00066943"
                           y3="4.22274"
                           yFract="0.50032464"
                           z3="8.49624"
                           zFract="0.38236904"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22374"
                           xFract="0.2634763"
                           y3="6.24757"
                           yFract="0.74023341"
                           z3="4.19398"
                           zFract="0.18874797"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17487"
                           xFract="0.25768602"
                           y3="6.22111"
                           yFract="0.73709834"
                           z3="8.83113"
                           zFract="0.39744059"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.1771"
                           xFract="0.49491706"
                           y3="6.28091"
                           yFract="0.74418365"
                           z3="6.42732"
                           zFract="0.28925833"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34926"
                           xFract="0.75228199"
                           y3="4.25125"
                           yFract="0.50370261"
                           z3="6.42521"
                           zFract="0.28916337"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30816"
                           xFract="0.5104455"
                           y3="4.18211"
                           yFract="0.49551066"
                           z3="4.18476"
                           zFract="0.18833303"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22428"
                           xFract="0.50050711"
                           y3="4.21076"
                           yFract="0.49890521"
                           z3="8.74618"
                           zFract="0.39361746"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22746"
                           xFract="0.73785071"
                           y3="6.18517"
                           yFract="0.73284005"
                           z3="4.2848"
                           zFract="0.19283528"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34355"
                           xFract="0.75160545"
                           y3="6.3334"
                           yFract="0.75040284"
                           z3="8.48355"
                           zFract="0.38179793"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.54">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.02197"
                           xFract="0.23956991"
                           y3="6.38945"
                           yFract="0.75704384"
                           z3="9.77879"
                           zFract="0.44008956"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24291"
                           xFract="0.50271445"
                           y3="6.32318"
                           yFract="0.74919194"
                           z3="4.22956"
                           zFract="0.19034923"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.0977"
                           xFract="-0.01157583"
                           y3="6.29318"
                           yFract="0.74563744"
                           z3="8.43974"
                           zFract="0.37982628"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31566"
                           xFract="0.74830095"
                           y3="4.22189"
                           yFract="0.50022393"
                           z3="4.21732"
                           zFract="0.18979838"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32134"
                           xFract="0.74897393"
                           y3="6.30405"
                           yFract="0.74692536"
                           z3="6.33638"
                           zFract="0.28516562"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30328"
                           xFract="0.74683412"
                           y3="4.20191"
                           yFract="0.49785664"
                           z3="8.50561"
                           zFract="0.38279073"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43253"
                           xFract="0.99911493"
                           y3="2.12848"
                           yFract="0.25218957"
                           z3="4.22404"
                           zFract="0.19010081"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22422"
                           xFract="0.5005"
                           y3="2.09648"
                           yFract="0.2483981"
                           z3="4.20338"
                           zFract="0.18917102"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32139"
                           xFract="0.51201303"
                           y3="6.28056"
                           yFract="0.74414218"
                           z3="8.46577"
                           zFract="0.38099775"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32103"
                           xFract="0.7489372"
                           y3="-0.0221"
                           yFract="-0.00261848"
                           z3="8.44825"
                           zFract="0.38020927"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13906"
                           xFract="0.25344313"
                           y3="2.10884"
                           yFract="0.24986256"
                           z3="6.29897"
                           zFract="0.283482"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13325"
                           xFract="0.25275474"
                           y3="4.1399"
                           yFract="0.49050948"
                           z3="8.46025"
                           zFract="0.38074932"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12446"
                           xFract="0.25171327"
                           y3="6.33987"
                           yFract="0.75116943"
                           z3="6.18196"
                           zFract="0.27821602"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.4119"
                           xFract="0.99667062"
                           y3="2.12276"
                           yFract="0.25151185"
                           z3="8.43933"
                           zFract="0.37980783"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40776"
                           xFract="0.99618009"
                           y3="4.23978"
                           yFract="0.5023436"
                           z3="6.37004"
                           zFract="0.28668047"/>
                     <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="2.11089"
                           xFract="0.25010545"
                           y3="-0.00845"
                           yFract="-0.00100118"
                           z3="4.19028"
                           zFract="0.18858146"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23882"
                           xFract="0.50222986"
                           y3="4.21548"
                           yFract="0.49946445"
                           z3="6.39991"
                           zFract="0.28802475"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00812"
                           xFract="-0.00096209"
                           y3="6.35703"
                           yFract="0.75320261"
                           z3="4.19292"
                           zFract="0.18870027"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22387"
                           xFract="0.50045853"
                           y3="8.42198"
                           yFract="0.99786493"
                           z3="6.34284"
                           zFract="0.28545635"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32186"
                           xFract="0.74903555"
                           y3="8.42309"
                           yFract="0.99799645"
                           z3="4.2269"
                           zFract="0.19022952"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26583"
                           xFract="0.50543009"
                           y3="2.12252"
                           yFract="0.25148341"
                           z3="8.53351"
                           zFract="0.38404635"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10776"
                           xFract="0.2497346"
                           y3="4.21774"
                           yFract="0.49973223"
                           z3="4.22614"
                           zFract="0.19019532"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.0047"
                           xFract="-0.00055687"
                           y3="-0.00562"
                           yFract="-0.00066588"
                           z3="6.35899"
                           zFract="0.28618317"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1557"
                           xFract="0.25541469"
                           y3="0.12531"
                           yFract="0.01484716"
                           z3="8.45781"
                           zFract="0.38063951"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30489"
                           xFract="0.74702488"
                           y3="2.11633"
                           yFract="0.25075"
                           z3="6.34356"
                           zFract="0.28548875"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02673"
                           xFract="0.00316706"
                           y3="2.13094"
                           yFract="0.25248104"
                           z3="6.34912"
                           zFract="0.28573897"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14293"
                           xFract="0.25390166"
                           y3="-0.03604"
                           yFract="-0.00427014"
                           z3="6.37734"
                           zFract="0.287009"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40744"
                           xFract="0.99614218"
                           y3="0.06768"
                           yFract="0.00801896"
                           z3="4.24885"
                           zFract="0.19121737"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03026"
                           xFract="0.00358531"
                           y3="8.40636"
                           yFract="0.99601422"
                           z3="8.53865"
                           zFract="0.38427768"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11711"
                           xFract="0.25084242"
                           y3="2.18064"
                           yFract="0.25836967"
                           z3="4.22175"
                           zFract="0.18999775"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07808"
                           xFract="0.24621801"
                           y3="2.13761"
                           yFract="0.25327133"
                           z3="8.47274"
                           zFract="0.38131143"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20648"
                           xFract="0.4983981"
                           y3="2.13848"
                           yFract="0.25337441"
                           z3="6.30753"
                           zFract="0.28386724"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29535"
                           xFract="0.74589455"
                           y3="8.3969"
                           yFract="0.99489336"
                           z3="6.37236"
                           zFract="0.28678488"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24534"
                           xFract="0.50300237"
                           y3="0.0175"
                           yFract="0.00207346"
                           z3="4.17847"
                           zFract="0.18804995"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20395"
                           xFract="0.49809834"
                           y3="8.3883"
                           yFract="0.99387441"
                           z3="8.71272"
                           zFract="0.39211161"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32397"
                           xFract="0.74928555"
                           y3="2.24015"
                           yFract="0.26542062"
                           z3="4.19148"
                           zFract="0.18863546"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35542"
                           xFract="0.75301185"
                           y3="2.05612"
                           yFract="0.24361611"
                           z3="8.52891"
                           zFract="0.38383933"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03627"
                           xFract="0.00429739"
                           y3="6.32027"
                           yFract="0.74884716"
                           z3="6.33879"
                           zFract="0.28527408"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06674"
                           xFract="0.24487441"
                           y3="4.2683"
                           yFract="0.50572275"
                           z3="6.43522"
                           zFract="0.28961386"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33955"
                           xFract="0.98809834"
                           y3="4.18161"
                           yFract="0.49545142"
                           z3="4.29097"
                           zFract="0.19311296"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00566"
                           xFract="0.00067062"
                           y3="4.22267"
                           yFract="0.50031635"
                           z3="8.49664"
                           zFract="0.38238704"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2237"
                           xFract="0.26347156"
                           y3="6.24748"
                           yFract="0.74022275"
                           z3="4.1940"
                           zFract="0.18874887"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17471"
                           xFract="0.25766706"
                           y3="6.22164"
                           yFract="0.73716114"
                           z3="8.83277"
                           zFract="0.3975144"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17702"
                           xFract="0.49490758"
                           y3="6.28101"
                           yFract="0.7441955"
                           z3="6.42802"
                           zFract="0.28928983"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34907"
                           xFract="0.75225948"
                           y3="4.25125"
                           yFract="0.50370261"
                           z3="6.42567"
                           zFract="0.28918407"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30833"
                           xFract="0.51046564"
                           y3="4.18211"
                           yFract="0.49551066"
                           z3="4.18499"
                           zFract="0.18834338"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22406"
                           xFract="0.50048104"
                           y3="4.21094"
                           yFract="0.49892654"
                           z3="8.7463"
                           zFract="0.39362286"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22751"
                           xFract="0.73785664"
                           y3="6.18499"
                           yFract="0.73281872"
                           z3="4.28505"
                           zFract="0.19284653"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34356"
                           xFract="0.75160664"
                           y3="6.33327"
                           yFract="0.75038744"
                           z3="8.48367"
                           zFract="0.38180333"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.55">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.02267"
                           xFract="0.23965284"
                           y3="6.38821"
                           yFract="0.75689692"
                           z3="9.78128"
                           zFract="0.44020162"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24302"
                           xFract="0.50272749"
                           y3="6.32316"
                           yFract="0.74918957"
                           z3="4.2298"
                           zFract="0.19036004"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09751"
                           xFract="-0.01155332"
                           y3="6.29325"
                           yFract="0.74564573"
                           z3="8.44037"
                           zFract="0.37985464"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31572"
                           xFract="0.74830806"
                           y3="4.2218"
                           yFract="0.50021327"
                           z3="4.21749"
                           zFract="0.18980603"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.3214"
                           xFract="0.74898104"
                           y3="6.30395"
                           yFract="0.74691351"
                           z3="6.33682"
                           zFract="0.28518542"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30318"
                           xFract="0.74682227"
                           y3="4.20198"
                           yFract="0.49786493"
                           z3="8.50604"
                           zFract="0.38281008"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43259"
                           xFract="0.99912204"
                           y3="2.12861"
                           yFract="0.25220498"
                           z3="4.22413"
                           zFract="0.19010486"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22428"
                           xFract="0.50050711"
                           y3="2.09657"
                           yFract="0.24840877"
                           z3="4.20364"
                           zFract="0.18918272"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32145"
                           xFract="0.51202014"
                           y3="6.28076"
                           yFract="0.74416588"
                           z3="8.4665"
                           zFract="0.3810306"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32117"
                           xFract="0.74895379"
                           y3="-0.02217"
                           yFract="-0.00262678"
                           z3="8.44827"
                           zFract="0.38021017"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13899"
                           xFract="0.25343483"
                           y3="2.10879"
                           yFract="0.24985664"
                           z3="6.29938"
                           zFract="0.28350045"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13307"
                           xFract="0.25273341"
                           y3="4.13997"
                           yFract="0.49051777"
                           z3="8.46088"
                           zFract="0.38077768"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12444"
                           xFract="0.2517109"
                           y3="6.33984"
                           yFract="0.75116588"
                           z3="6.18199"
                           zFract="0.27821737"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41185"
                           xFract="0.99666469"
                           y3="2.12259"
                           yFract="0.25149171"
                           z3="8.43974"
                           zFract="0.37982628"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.4077"
                           xFract="0.99617299"
                           y3="4.23976"
                           yFract="0.50234123"
                           z3="6.37048"
                           zFract="0.28670027"/>
                     <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="2.11104"
                           xFract="0.25012322"
                           y3="-0.00832"
                           yFract="-0.00098578"
                           z3="4.19044"
                           zFract="0.18858866"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23871"
                           xFract="0.50221682"
                           y3="4.21546"
                           yFract="0.49946209"
                           z3="6.40062"
                           zFract="0.28805671"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00806"
                           xFract="-0.00095498"
                           y3="6.35711"
                           yFract="0.75321209"
                           z3="4.19312"
                           zFract="0.18870927"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22387"
                           xFract="0.50045853"
                           y3="8.42195"
                           yFract="0.99786137"
                           z3="6.34333"
                           zFract="0.2854784"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32195"
                           xFract="0.74904621"
                           y3="8.42292"
                           yFract="0.9979763"
                           z3="4.22684"
                           zFract="0.19022682"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26562"
                           xFract="0.50540521"
                           y3="2.12241"
                           yFract="0.25147038"
                           z3="8.53398"
                           zFract="0.38406751"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10787"
                           xFract="0.24974763"
                           y3="4.21774"
                           yFract="0.49973223"
                           z3="4.22631"
                           zFract="0.19020297"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00469"
                           xFract="-0.00055569"
                           y3="-0.00562"
                           yFract="-0.00066588"
                           z3="6.35901"
                           zFract="0.28618407"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15569"
                           xFract="0.25541351"
                           y3="0.12469"
                           yFract="0.0147737"
                           z3="8.45844"
                           zFract="0.38066787"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30484"
                           xFract="0.74701896"
                           y3="2.1163"
                           yFract="0.25074645"
                           z3="6.34374"
                           zFract="0.28549685"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02671"
                           xFract="0.00316469"
                           y3="2.13098"
                           yFract="0.25248578"
                           z3="6.34938"
                           zFract="0.28575068"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14283"
                           xFract="0.25388981"
                           y3="-0.03621"
                           yFract="-0.00429028"
                           z3="6.37788"
                           zFract="0.2870333"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40794"
                           xFract="0.99620142"
                           y3="0.06776"
                           yFract="0.00802844"
                           z3="4.24884"
                           zFract="0.19121692"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02987"
                           xFract="0.0035391"
                           y3="8.40662"
                           yFract="0.99604502"
                           z3="8.53896"
                           zFract="0.38429163"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11718"
                           xFract="0.25085071"
                           y3="2.18096"
                           yFract="0.25840758"
                           z3="4.22209"
                           zFract="0.19001305"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07815"
                           xFract="0.2462263"
                           y3="2.13728"
                           yFract="0.25323223"
                           z3="8.47346"
                           zFract="0.38134383"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20636"
                           xFract="0.49838389"
                           y3="2.13836"
                           yFract="0.25336019"
                           z3="6.30786"
                           zFract="0.28388209"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29538"
                           xFract="0.7458981"
                           y3="8.3968"
                           yFract="0.99488152"
                           z3="6.37208"
                           zFract="0.28677228"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24514"
                           xFract="0.50297867"
                           y3="0.01733"
                           yFract="0.00205332"
                           z3="4.17869"
                           zFract="0.18805986"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20424"
                           xFract="0.4981327"
                           y3="8.38837"
                           yFract="0.9938827"
                           z3="8.7129"
                           zFract="0.39211971"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32397"
                           xFract="0.74928555"
                           y3="2.2403"
                           yFract="0.26543839"
                           z3="4.19161"
                           zFract="0.18864131"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35529"
                           xFract="0.75299645"
                           y3="2.05628"
                           yFract="0.24363507"
                           z3="8.52888"
                           zFract="0.38383798"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03632"
                           xFract="0.00430332"
                           y3="6.32027"
                           yFract="0.74884716"
                           z3="6.33927"
                           zFract="0.28529568"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06674"
                           xFract="0.24487441"
                           y3="4.26846"
                           yFract="0.50574171"
                           z3="6.43562"
                           zFract="0.28963186"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33931"
                           xFract="0.98806991"
                           y3="4.18168"
                           yFract="0.49545972"
                           z3="4.29133"
                           zFract="0.19312916"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00578"
                           xFract="0.00068483"
                           y3="4.22255"
                           yFract="0.50030213"
                           z3="8.49739"
                           zFract="0.38242079"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22382"
                           xFract="0.26348578"
                           y3="6.24725"
                           yFract="0.7401955"
                           z3="4.19407"
                           zFract="0.18875203"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1744"
                           xFract="0.25763033"
                           y3="6.2221"
                           yFract="0.73721564"
                           z3="8.83442"
                           zFract="0.39758866"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17662"
                           xFract="0.49486019"
                           y3="6.28113"
                           yFract="0.74420972"
                           z3="6.42847"
                           zFract="0.28931008"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34898"
                           xFract="0.75224882"
                           y3="4.2512"
                           yFract="0.50369668"
                           z3="6.42621"
                           zFract="0.28920837"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30851"
                           xFract="0.51048697"
                           y3="4.18208"
                           yFract="0.49550711"
                           z3="4.18532"
                           zFract="0.18835824"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22379"
                           xFract="0.50044905"
                           y3="4.21102"
                           yFract="0.49893602"
                           z3="8.74664"
                           zFract="0.39363816"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22761"
                           xFract="0.73786848"
                           y3="6.18464"
                           yFract="0.73277725"
                           z3="4.28542"
                           zFract="0.19286319"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34353"
                           xFract="0.75160308"
                           y3="6.33307"
                           yFract="0.75036374"
                           z3="8.48395"
                           zFract="0.38181593"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.56">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.02476"
                           xFract="0.23990047"
                           y3="6.3845"
                           yFract="0.75645735"
                           z3="9.78876"
                           zFract="0.44053825"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24338"
                           xFract="0.50277014"
                           y3="6.32311"
                           yFract="0.74918365"
                           z3="4.23052"
                           zFract="0.19039244"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09695"
                           xFract="-0.01148697"
                           y3="6.29347"
                           yFract="0.7456718"
                           z3="8.44225"
                           zFract="0.37993924"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31587"
                           xFract="0.74832583"
                           y3="4.22153"
                           yFract="0.50018128"
                           z3="4.21798"
                           zFract="0.18982808"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32157"
                           xFract="0.74900118"
                           y3="6.30366"
                           yFract="0.74687915"
                           z3="6.33815"
                           zFract="0.28524527"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30288"
                           xFract="0.74678673"
                           y3="4.20216"
                           yFract="0.49788626"
                           z3="8.50732"
                           zFract="0.38286769"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43275"
                           xFract="0.999141"
                           y3="2.1290"
                           yFract="0.25225118"
                           z3="4.22439"
                           zFract="0.19011656"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22444"
                           xFract="0.50052607"
                           y3="2.09683"
                           yFract="0.24843957"
                           z3="4.20441"
                           zFract="0.18921737"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32164"
                           xFract="0.51204265"
                           y3="6.28138"
                           yFract="0.74423934"
                           z3="8.4687"
                           zFract="0.38112961"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3216"
                           xFract="0.74900474"
                           y3="-0.02239"
                           yFract="-0.00265284"
                           z3="8.44835"
                           zFract="0.38021377"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13876"
                           xFract="0.25340758"
                           y3="2.10862"
                           yFract="0.24983649"
                           z3="6.30059"
                           zFract="0.28355491"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13253"
                           xFract="0.25266943"
                           y3="4.14019"
                           yFract="0.49054384"
                           z3="8.46277"
                           zFract="0.38086274"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12435"
                           xFract="0.25170024"
                           y3="6.33975"
                           yFract="0.75115521"
                           z3="6.18208"
                           zFract="0.27822142"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41169"
                           xFract="0.99664573"
                           y3="2.12206"
                           yFract="0.25142891"
                           z3="8.44099"
                           zFract="0.37988254"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40755"
                           xFract="0.99615521"
                           y3="4.23969"
                           yFract="0.50233294"
                           z3="6.37177"
                           zFract="0.28675833"/>
                     <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="2.11149"
                           xFract="0.25017654"
                           y3="-0.00792"
                           yFract="-0.00093839"
                           z3="4.19092"
                           zFract="0.18861026"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23838"
                           xFract="0.50217773"
                           y3="4.21538"
                           yFract="0.49945261"
                           z3="6.40275"
                           zFract="0.28815257"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00789"
                           xFract="-0.00093483"
                           y3="6.35734"
                           yFract="0.75323934"
                           z3="4.19371"
                           zFract="0.18873582"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22389"
                           xFract="0.5004609"
                           y3="8.42188"
                           yFract="0.99785308"
                           z3="6.34481"
                           zFract="0.285545"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32224"
                           xFract="0.74908057"
                           y3="8.4224"
                           yFract="0.99791469"
                           z3="4.22666"
                           zFract="0.19021872"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26498"
                           xFract="0.50532938"
                           y3="2.12206"
                           yFract="0.25142891"
                           z3="8.53539"
                           zFract="0.38413096"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1082"
                           xFract="0.24978673"
                           y3="4.21775"
                           yFract="0.49973341"
                           z3="4.22684"
                           zFract="0.19022682"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00467"
                           xFract="-0.00055332"
                           y3="-0.00562"
                           yFract="-0.00066588"
                           z3="6.35909"
                           zFract="0.28618767"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15567"
                           xFract="0.25541114"
                           y3="0.12283"
                           yFract="0.01455332"
                           z3="8.46036"
                           zFract="0.38075428"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30471"
                           xFract="0.74700355"
                           y3="2.11618"
                           yFract="0.25073223"
                           z3="6.34429"
                           zFract="0.2855216"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02667"
                           xFract="0.00315995"
                           y3="2.13107"
                           yFract="0.25249645"
                           z3="6.35015"
                           zFract="0.28578533"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14251"
                           xFract="0.2538519"
                           y3="-0.03674"
                           yFract="-0.00435308"
                           z3="6.37952"
                           zFract="0.28710711"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.40944"
                           xFract="0.99637915"
                           y3="0.0680"
                           yFract="0.00805687"
                           z3="4.24881"
                           zFract="0.19121557"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02871"
                           xFract="0.00340166"
                           y3="8.40739"
                           yFract="0.99613626"
                           z3="8.53989"
                           zFract="0.38433348"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11739"
                           xFract="0.25087559"
                           y3="2.1819"
                           yFract="0.25851896"
                           z3="4.22313"
                           zFract="0.19005986"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07835"
                           xFract="0.24625"
                           y3="2.13631"
                           yFract="0.2531173"
                           z3="8.4756"
                           zFract="0.38144014"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20598"
                           xFract="0.49833886"
                           y3="2.13803"
                           yFract="0.25332109"
                           z3="6.30885"
                           zFract="0.28392664"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29547"
                           xFract="0.74590877"
                           y3="8.39649"
                           yFract="0.99484479"
                           z3="6.37126"
                           zFract="0.28673537"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24453"
                           xFract="0.5029064"
                           y3="0.01682"
                           yFract="0.00199289"
                           z3="4.17936"
                           zFract="0.18809001"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20512"
                           xFract="0.49823697"
                           y3="8.38857"
                           yFract="0.9939064"
                           z3="8.71342"
                           zFract="0.39214311"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32397"
                           xFract="0.74928555"
                           y3="2.24075"
                           yFract="0.26549171"
                           z3="4.19201"
                           zFract="0.18865932"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3549"
                           xFract="0.75295024"
                           y3="2.05675"
                           yFract="0.24369076"
                           z3="8.52879"
                           zFract="0.38383393"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03648"
                           xFract="0.00432227"
                           y3="6.32025"
                           yFract="0.74884479"
                           z3="6.34073"
                           zFract="0.28536139"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06674"
                           xFract="0.24487441"
                           y3="4.26893"
                           yFract="0.50579739"
                           z3="6.4368"
                           zFract="0.28968497"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3386"
                           xFract="0.98798578"
                           y3="4.18191"
                           yFract="0.49548697"
                           z3="4.29241"
                           zFract="0.19317777"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00614"
                           xFract="0.00072749"
                           y3="4.22219"
                           yFract="0.50025948"
                           z3="8.49964"
                           zFract="0.38252205"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22417"
                           xFract="0.26352725"
                           y3="6.24655"
                           yFract="0.74011256"
                           z3="4.19427"
                           zFract="0.18876103"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17348"
                           xFract="0.25752133"
                           y3="6.22347"
                           yFract="0.73737796"
                           z3="8.83938"
                           zFract="0.39781188"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17542"
                           xFract="0.49471801"
                           y3="6.28148"
                           yFract="0.74425118"
                           z3="6.42982"
                           zFract="0.28937084"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34871"
                           xFract="0.75221682"
                           y3="4.25106"
                           yFract="0.50368009"
                           z3="6.42782"
                           zFract="0.28928083"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30907"
                           xFract="0.51055332"
                           y3="4.1820"
                           yFract="0.49549763"
                           z3="4.18629"
                           zFract="0.18840189"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22298"
                           xFract="0.50035308"
                           y3="4.21126"
                           yFract="0.49896445"
                           z3="8.74766"
                           zFract="0.39368407"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2279"
                           xFract="0.73790284"
                           y3="6.1836"
                           yFract="0.73265403"
                           z3="4.28652"
                           zFract="0.19291269"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34344"
                           xFract="0.75159242"
                           y3="6.33248"
                           yFract="0.75029384"
                           z3="8.48481"
                           zFract="0.38185464"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.57">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.02896"
                           xFract="0.2403981"
                           y3="6.37708"
                           yFract="0.7555782"
                           z3="9.8037"
                           zFract="0.44121062"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24409"
                           xFract="0.50285427"
                           y3="6.32301"
                           yFract="0.7491718"
                           z3="4.23197"
                           zFract="0.1904577"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09582"
                           xFract="-0.01135308"
                           y3="6.29391"
                           yFract="0.74572393"
                           z3="8.44603"
                           zFract="0.38010936"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31619"
                           xFract="0.74836374"
                           y3="4.2210"
                           yFract="0.50011848"
                           z3="4.21898"
                           zFract="0.18987309"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32191"
                           xFract="0.74904147"
                           y3="6.30308"
                           yFract="0.74681043"
                           z3="6.34082"
                           zFract="0.28536544"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30228"
                           xFract="0.74671564"
                           y3="4.20253"
                           yFract="0.49793009"
                           z3="8.50988"
                           zFract="0.3829829"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43307"
                           xFract="0.99917891"
                           y3="2.12979"
                           yFract="0.25234479"
                           z3="4.22491"
                           zFract="0.19013996"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22477"
                           xFract="0.50056517"
                           y3="2.09734"
                           yFract="0.2485"
                           z3="4.20594"
                           zFract="0.18928623"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32201"
                           xFract="0.51208649"
                           y3="6.2826"
                           yFract="0.74438389"
                           z3="8.47309"
                           zFract="0.38132718"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32246"
                           xFract="0.74910664"
                           y3="-0.02282"
                           yFract="-0.00270379"
                           z3="8.44849"
                           zFract="0.38022007"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13832"
                           xFract="0.25335545"
                           y3="2.10829"
                           yFract="0.24979739"
                           z3="6.30303"
                           zFract="0.28366472"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13145"
                           xFract="0.25254147"
                           y3="4.14063"
                           yFract="0.49059597"
                           z3="8.46654"
                           zFract="0.3810324"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12419"
                           xFract="0.25168128"
                           y3="6.33956"
                           yFract="0.7511327"
                           z3="6.18227"
                           zFract="0.27822997"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41138"
                           xFract="0.996609"
                           y3="2.1210"
                           yFract="0.25130332"
                           z3="8.44348"
                           zFract="0.3799946"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40725"
                           xFract="0.99611967"
                           y3="4.23954"
                           yFract="0.50231517"
                           z3="6.37437"
                           zFract="0.28687534"/>
                     <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="2.11239"
                           xFract="0.25028318"
                           y3="-0.00713"
                           yFract="-0.00084479"
                           z3="4.19187"
                           zFract="0.18865302"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23771"
                           xFract="0.50209834"
                           y3="4.21522"
                           yFract="0.49943365"
                           z3="6.40701"
                           zFract="0.28834428"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00754"
                           xFract="-0.00089336"
                           y3="6.3578"
                           yFract="0.75329384"
                           z3="4.19488"
                           zFract="0.18878848"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22393"
                           xFract="0.50046564"
                           y3="8.42173"
                           yFract="0.99783531"
                           z3="6.34775"
                           zFract="0.28567732"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32282"
                           xFract="0.74914929"
                           y3="8.42135"
                           yFract="0.99779028"
                           z3="4.22632"
                           zFract="0.19020342"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26371"
                           xFract="0.50517891"
                           y3="2.12136"
                           yFract="0.25134597"
                           z3="8.53819"
                           zFract="0.38425698"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.10884"
                           xFract="0.24986256"
                           y3="4.21778"
                           yFract="0.49973697"
                           z3="4.22789"
                           zFract="0.19027408"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00461"
                           xFract="-0.00054621"
                           y3="-0.00562"
                           yFract="-0.00066588"
                           z3="6.35925"
                           zFract="0.28619487"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15562"
                           xFract="0.25540521"
                           y3="0.11912"
                           yFract="0.01411374"
                           z3="8.46418"
                           zFract="0.38092619"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30444"
                           xFract="0.74697156"
                           y3="2.11596"
                           yFract="0.25070616"
                           z3="6.34539"
                           zFract="0.28557111"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02658"
                           xFract="0.00314929"
                           y3="2.13127"
                           yFract="0.25252014"
                           z3="6.35169"
                           zFract="0.28585464"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14189"
                           xFract="0.25377844"
                           y3="-0.03779"
                           yFract="-0.00447749"
                           z3="6.38279"
                           zFract="0.28725428"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.41244"
                           xFract="0.9967346"
                           y3="0.06848"
                           yFract="0.00811374"
                           z3="4.24876"
                           zFract="0.19121332"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02639"
                           xFract="0.00312678"
                           y3="8.40893"
                           yFract="0.99631872"
                           z3="8.54176"
                           zFract="0.38441764"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11781"
                           xFract="0.25092536"
                           y3="2.18379"
                           yFract="0.25874289"
                           z3="4.2252"
                           zFract="0.19015302"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07876"
                           xFract="0.24629858"
                           y3="2.13437"
                           yFract="0.25288744"
                           z3="8.47988"
                           zFract="0.38163276"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20523"
                           xFract="0.49825"
                           y3="2.13736"
                           yFract="0.25324171"
                           z3="6.31082"
                           zFract="0.2840153"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29565"
                           xFract="0.74593009"
                           y3="8.39588"
                           yFract="0.99477251"
                           z3="6.36962"
                           zFract="0.28666157"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24331"
                           xFract="0.50276185"
                           y3="0.01581"
                           yFract="0.00187322"
                           z3="4.1807"
                           zFract="0.18815032"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20687"
                           xFract="0.49844431"
                           y3="8.38899"
                           yFract="0.99395616"
                           z3="8.71447"
                           zFract="0.39219037"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32397"
                           xFract="0.74928555"
                           y3="2.24166"
                           yFract="0.26559953"
                           z3="4.1928"
                           zFract="0.18869487"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35411"
                           xFract="0.75285664"
                           y3="2.0577"
                           yFract="0.24380332"
                           z3="8.52861"
                           zFract="0.38382583"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0368"
                           xFract="0.00436019"
                           y3="6.32023"
                           yFract="0.74884242"
                           z3="6.34365"
                           zFract="0.2854928"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06675"
                           xFract="0.24487559"
                           y3="4.26989"
                           yFract="0.50591114"
                           z3="6.43917"
                           zFract="0.28979163"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33716"
                           xFract="0.98781517"
                           y3="4.18236"
                           yFract="0.49554028"
                           z3="4.29456"
                           zFract="0.19327453"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00684"
                           xFract="0.00081043"
                           y3="4.22148"
                           yFract="0.50017536"
                           z3="8.50415"
                           zFract="0.38272502"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22489"
                           xFract="0.26361256"
                           y3="6.24516"
                           yFract="0.73994787"
                           z3="4.19467"
                           zFract="0.18877903"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17164"
                           xFract="0.25730332"
                           y3="6.22623"
                           yFract="0.73770498"
                           z3="8.84929"
                           zFract="0.39825788"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.17303"
                           xFract="0.49443483"
                           y3="6.2822"
                           yFract="0.74433649"
                           z3="6.43253"
                           zFract="0.2894928"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34817"
                           xFract="0.75215284"
                           y3="4.25077"
                           yFract="0.50364573"
                           z3="6.43105"
                           zFract="0.28942619"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31018"
                           xFract="0.51068483"
                           y3="4.18184"
                           yFract="0.49547867"
                           z3="4.18824"
                           zFract="0.18848965"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22136"
                           xFract="0.50016114"
                           y3="4.21173"
                           yFract="0.49902014"
                           z3="8.7497"
                           zFract="0.39377588"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22848"
                           xFract="0.73797156"
                           y3="6.18153"
                           yFract="0.73240877"
                           z3="4.28871"
                           zFract="0.19301125"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34325"
                           xFract="0.75156991"
                           y3="6.3313"
                           yFract="0.75015403"
                           z3="8.48652"
                           zFract="0.38193159"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a36" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.58">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.03734"
                           xFract="0.241391"
                           y3="6.36224"
                           yFract="0.75381991"
                           z3="9.8336"
                           zFract="0.44255626"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24551"
                           xFract="0.50302251"
                           y3="6.32281"
                           yFract="0.7491481"
                           z3="4.23486"
                           zFract="0.19058776"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09356"
                           xFract="-0.01108531"
                           y3="6.29479"
                           yFract="0.7458282"
                           z3="8.45358"
                           zFract="0.38044914"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31681"
                           xFract="0.7484372"
                           y3="4.21993"
                           yFract="0.49999171"
                           z3="4.22097"
                           zFract="0.18996265"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.3226"
                           xFract="0.74912322"
                           y3="6.30191"
                           yFract="0.7466718"
                           z3="6.34614"
                           zFract="0.28560486"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30109"
                           xFract="0.74657464"
                           y3="4.20327"
                           yFract="0.49801777"
                           z3="8.51501"
                           zFract="0.38321377"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43373"
                           xFract="0.99925711"
                           y3="2.13136"
                           yFract="0.25253081"
                           z3="4.22594"
                           zFract="0.19018632"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22543"
                           xFract="0.50064336"
                           y3="2.09837"
                           yFract="0.24862204"
                           z3="4.2090"
                           zFract="0.18942394"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32276"
                           xFract="0.51217536"
                           y3="6.28506"
                           yFract="0.74467536"
                           z3="8.48188"
                           zFract="0.38172277"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32417"
                           xFract="0.74930924"
                           y3="-0.02368"
                           yFract="-0.00280569"
                           z3="8.44877"
                           zFract="0.38023267"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13743"
                           xFract="0.25325"
                           y3="2.10762"
                           yFract="0.24971801"
                           z3="6.30791"
                           zFract="0.28388434"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12929"
                           xFract="0.25228555"
                           y3="4.1415"
                           yFract="0.49069905"
                           z3="8.47408"
                           zFract="0.38137174"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12386"
                           xFract="0.25164218"
                           y3="6.33918"
                           yFract="0.75108768"
                           z3="6.18263"
                           zFract="0.27824617"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41075"
                           xFract="0.99653436"
                           y3="2.11889"
                           yFract="0.25105332"
                           z3="8.44847"
                           zFract="0.38021917"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40663"
                           xFract="0.99604621"
                           y3="4.23926"
                           yFract="0.50228199"
                           z3="6.37956"
                           zFract="0.28710891"/>
                     <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="2.11418"
                           xFract="0.25049526"
                           y3="-0.00554"
                           yFract="-0.0006564"
                           z3="4.19378"
                           zFract="0.18873897"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23638"
                           xFract="0.50194076"
                           y3="4.21491"
                           yFract="0.49939692"
                           z3="6.41553"
                           zFract="0.28872772"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00684"
                           xFract="-0.00081043"
                           y3="6.35872"
                           yFract="0.75340284"
                           z3="4.19724"
                           zFract="0.18889469"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2240"
                           xFract="0.50047393"
                           y3="8.42144"
                           yFract="0.99780095"
                           z3="6.35364"
                           zFract="0.28594239"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32398"
                           xFract="0.74928673"
                           y3="8.41925"
                           yFract="0.99754147"
                           z3="4.22562"
                           zFract="0.19017192"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26116"
                           xFract="0.50487678"
                           y3="2.11996"
                           yFract="0.25118009"
                           z3="8.54381"
                           zFract="0.3845099"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11013"
                           xFract="0.2500154"
                           y3="4.21782"
                           yFract="0.49974171"
                           z3="4.22999"
                           zFract="0.19036859"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.0045"
                           xFract="-0.00053318"
                           y3="-0.00562"
                           yFract="-0.00066588"
                           z3="6.35956"
                           zFract="0.28620882"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15553"
                           xFract="0.25539455"
                           y3="0.11168"
                           yFract="0.01323223"
                           z3="8.47184"
                           zFract="0.38127093"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.3039"
                           xFract="0.74690758"
                           y3="2.11551"
                           yFract="0.25065284"
                           z3="6.34759"
                           zFract="0.28567012"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02641"
                           xFract="0.00312915"
                           y3="2.13167"
                           yFract="0.25256754"
                           z3="6.35479"
                           zFract="0.28599415"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14063"
                           xFract="0.25362915"
                           y3="-0.03989"
                           yFract="-0.0047263"
                           z3="6.38934"
                           zFract="0.28754905"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.41843"
                           xFract="0.99744431"
                           y3="0.06944"
                           yFract="0.00822749"
                           z3="4.24866"
                           zFract="0.19120882"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02176"
                           xFract="0.0025782"
                           y3="8.41202"
                           yFract="0.99668483"
                           z3="8.54548"
                           zFract="0.38458506"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11865"
                           xFract="0.25102488"
                           y3="2.18756"
                           yFract="0.25918957"
                           z3="4.22935"
                           zFract="0.19033978"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07957"
                           xFract="0.24639455"
                           y3="2.13048"
                           yFract="0.25242654"
                           z3="8.48845"
                           zFract="0.38201845"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20373"
                           xFract="0.49807227"
                           y3="2.13602"
                           yFract="0.25308294"
                           z3="6.31478"
                           zFract="0.28419352"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29601"
                           xFract="0.74597275"
                           y3="8.39467"
                           yFract="0.99462915"
                           z3="6.36633"
                           zFract="0.2865135"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24087"
                           xFract="0.50247275"
                           y3="0.01377"
                           yFract="0.00163152"
                           z3="4.18337"
                           zFract="0.18827048"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21038"
                           xFract="0.49886019"
                           y3="8.38981"
                           yFract="0.99405332"
                           z3="8.71657"
                           zFract="0.39228488"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32397"
                           xFract="0.74928555"
                           y3="2.24347"
                           yFract="0.26581398"
                           z3="4.19438"
                           zFract="0.18876598"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35254"
                           xFract="0.75267062"
                           y3="2.0596"
                           yFract="0.24402844"
                           z3="8.52825"
                           zFract="0.38380963"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03744"
                           xFract="0.00443602"
                           y3="6.32017"
                           yFract="0.74883531"
                           z3="6.34948"
                           zFract="0.28575518"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06676"
                           xFract="0.24487678"
                           y3="4.2718"
                           yFract="0.50613744"
                           z3="6.4439"
                           zFract="0.2900045"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33429"
                           xFract="0.98747512"
                           y3="4.18325"
                           yFract="0.49564573"
                           z3="4.29887"
                           zFract="0.1934685"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00826"
                           xFract="0.00097867"
                           y3="4.22004"
                           yFract="0.50000474"
                           z3="8.51317"
                           zFract="0.38313096"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22631"
                           xFract="0.26378081"
                           y3="6.24238"
                           yFract="0.73961848"
                           z3="4.19549"
                           zFract="0.18881593"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16796"
                           xFract="0.2568673"
                           y3="6.23175"
                           yFract="0.738359"
                           z3="8.86911"
                           zFract="0.39914986"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16823"
                           xFract="0.49386611"
                           y3="6.28363"
                           yFract="0.74450592"
                           z3="6.43794"
                           zFract="0.28973627"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34708"
                           xFract="0.7520237"
                           y3="4.2502"
                           yFract="0.5035782"
                           z3="6.4375"
                           zFract="0.28971647"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3124"
                           xFract="0.51094787"
                           y3="4.18152"
                           yFract="0.49544076"
                           z3="4.19214"
                           zFract="0.18866517"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21811"
                           xFract="0.49977607"
                           y3="4.21268"
                           yFract="0.4991327"
                           z3="8.75379"
                           zFract="0.39395995"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22964"
                           xFract="0.738109"
                           y3="6.17738"
                           yFract="0.73191706"
                           z3="4.29311"
                           zFract="0.19320927"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34288"
                           xFract="0.75152607"
                           y3="6.32894"
                           yFract="0.74987441"
                           z3="8.48995"
                           zFract="0.38208596"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.59">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.03844"
                           xFract="0.24152133"
                           y3="6.36042"
                           yFract="0.75360427"
                           z3="9.83631"
                           zFract="0.44267822"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24565"
                           xFract="0.5030391"
                           y3="6.32276"
                           yFract="0.74914218"
                           z3="4.23518"
                           zFract="0.19060216"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.0933"
                           xFract="-0.0110545"
                           y3="6.29496"
                           yFract="0.74584834"
                           z3="8.45444"
                           zFract="0.38048785"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31685"
                           xFract="0.74844194"
                           y3="4.21984"
                           yFract="0.49998104"
                           z3="4.22129"
                           zFract="0.18997705"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32264"
                           xFract="0.74912796"
                           y3="6.30173"
                           yFract="0.74665047"
                           z3="6.3467"
                           zFract="0.28563006"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.30087"
                           xFract="0.74654858"
                           y3="4.20328"
                           yFract="0.49801896"
                           z3="8.51564"
                           zFract="0.38324212"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43373"
                           xFract="0.99925711"
                           y3="2.13153"
                           yFract="0.25255095"
                           z3="4.22619"
                           zFract="0.19019757"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22556"
                           xFract="0.50065877"
                           y3="2.09853"
                           yFract="0.248641"
                           z3="4.20921"
                           zFract="0.18943339"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32292"
                           xFract="0.51219431"
                           y3="6.28534"
                           yFract="0.74470853"
                           z3="8.48285"
                           zFract="0.38176643"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32424"
                           xFract="0.74931754"
                           y3="-0.02367"
                           yFract="-0.0028045"
                           z3="8.44877"
                           zFract="0.38023267"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1374"
                           xFract="0.25324645"
                           y3="2.10751"
                           yFract="0.24970498"
                           z3="6.3085"
                           zFract="0.28391089"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12908"
                           xFract="0.25226066"
                           y3="4.14141"
                           yFract="0.49068839"
                           z3="8.47486"
                           zFract="0.38140684"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12381"
                           xFract="0.25163626"
                           y3="6.33917"
                           yFract="0.75108649"
                           z3="6.18269"
                           zFract="0.27824887"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41067"
                           xFract="0.99652488"
                           y3="2.11866"
                           yFract="0.25102607"
                           z3="8.44901"
                           zFract="0.38024347"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40658"
                           xFract="0.99604028"
                           y3="4.23929"
                           yFract="0.50228555"
                           z3="6.38021"
                           zFract="0.28713816"/>
                     <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="2.11442"
                           xFract="0.2505237"
                           y3="-0.00534"
                           yFract="-0.0006327"
                           z3="4.19405"
                           zFract="0.18875113"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23618"
                           xFract="0.50191706"
                           y3="4.2149"
                           yFract="0.49939573"
                           z3="6.4165"
                           zFract="0.28877138"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00679"
                           xFract="-0.0008045"
                           y3="6.3588"
                           yFract="0.75341232"
                           z3="4.1975"
                           zFract="0.18890639"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22395"
                           xFract="0.50046801"
                           y3="8.42141"
                           yFract="0.99779739"
                           z3="6.35431"
                           zFract="0.28597255"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32408"
                           xFract="0.74929858"
                           y3="8.41905"
                           yFract="0.99751777"
                           z3="4.22556"
                           zFract="0.19016922"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26094"
                           xFract="0.50485071"
                           y3="2.11978"
                           yFract="0.25115877"
                           z3="8.54442"
                           zFract="0.38453735"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11028"
                           xFract="0.25003318"
                           y3="4.21781"
                           yFract="0.49974052"
                           z3="4.23027"
                           zFract="0.19038119"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.0044"
                           xFract="-0.00052133"
                           y3="-0.00565"
                           yFract="-0.00066943"
                           z3="6.35964"
                           zFract="0.28621242"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15546"
                           xFract="0.25538626"
                           y3="0.11088"
                           yFract="0.01313744"
                           z3="8.47271"
                           zFract="0.38131008"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30379"
                           xFract="0.74689455"
                           y3="2.11548"
                           yFract="0.25064929"
                           z3="6.34784"
                           zFract="0.28568137"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02639"
                           xFract="0.00312678"
                           y3="2.13174"
                           yFract="0.25257583"
                           z3="6.35512"
                           zFract="0.286009"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.14046"
                           xFract="0.253609"
                           y3="-0.04019"
                           yFract="-0.00476185"
                           z3="6.39006"
                           zFract="0.28758146"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.41916"
                           xFract="0.99753081"
                           y3="0.06951"
                           yFract="0.00823578"
                           z3="4.24866"
                           zFract="0.19120882"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02119"
                           xFract="0.00251066"
                           y3="8.41222"
                           yFract="0.99670853"
                           z3="8.54599"
                           zFract="0.38460801"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11871"
                           xFract="0.25103199"
                           y3="2.18797"
                           yFract="0.25923815"
                           z3="4.22987"
                           zFract="0.19036319"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07965"
                           xFract="0.24640403"
                           y3="2.13027"
                           yFract="0.25240166"
                           z3="8.48952"
                           zFract="0.38206661"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2036"
                           xFract="0.49805687"
                           y3="2.13584"
                           yFract="0.25306161"
                           z3="6.31521"
                           zFract="0.28421287"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29606"
                           xFract="0.74597867"
                           y3="8.39451"
                           yFract="0.99461019"
                           z3="6.3660"
                           zFract="0.28649865"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24055"
                           xFract="0.50243483"
                           y3="0.01355"
                           yFract="0.00160545"
                           z3="4.18372"
                           zFract="0.18828623"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21083"
                           xFract="0.49891351"
                           y3="8.38985"
                           yFract="0.99405806"
                           z3="8.71689"
                           zFract="0.39229928"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32398"
                           xFract="0.74928673"
                           y3="2.24361"
                           yFract="0.26583057"
                           z3="4.19465"
                           zFract="0.18877813"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35234"
                           xFract="0.75264692"
                           y3="2.05978"
                           yFract="0.24404976"
                           z3="8.5283"
                           zFract="0.38381188"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0375"
                           xFract="0.00444313"
                           y3="6.32017"
                           yFract="0.74883531"
                           z3="6.35025"
                           zFract="0.28578983"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06669"
                           xFract="0.24486848"
                           y3="4.27198"
                           yFract="0.50615877"
                           z3="6.4445"
                           zFract="0.2900315"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33395"
                           xFract="0.98743483"
                           y3="4.1834"
                           yFract="0.49566351"
                           z3="4.29934"
                           zFract="0.19348965"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00843"
                           xFract="0.00099882"
                           y3="4.2199"
                           yFract="0.49998815"
                           z3="8.51422"
                           zFract="0.38317822"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2265"
                           xFract="0.26380332"
                           y3="6.24204"
                           yFract="0.7395782"
                           z3="4.19555"
                           zFract="0.18881863"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16737"
                           xFract="0.25679739"
                           y3="6.23242"
                           yFract="0.73843839"
                           z3="8.87246"
                           zFract="0.39930063"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16774"
                           xFract="0.49380806"
                           y3="6.28376"
                           yFract="0.74452133"
                           z3="6.43854"
                           zFract="0.28976328"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34699"
                           xFract="0.75201303"
                           y3="4.25016"
                           yFract="0.50357346"
                           z3="6.43822"
                           zFract="0.28974887"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31271"
                           xFract="0.5109846"
                           y3="4.18149"
                           yFract="0.4954372"
                           z3="4.19255"
                           zFract="0.18868362"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21776"
                           xFract="0.4997346"
                           y3="4.21278"
                           yFract="0.49914455"
                           z3="8.75438"
                           zFract="0.3939865"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22978"
                           xFract="0.73812559"
                           y3="6.1769"
                           yFract="0.73186019"
                           z3="4.29365"
                           zFract="0.19323357"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34291"
                           xFract="0.75152962"
                           y3="6.32874"
                           yFract="0.74985071"
                           z3="8.49041"
                           zFract="0.38210666"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.60">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04175"
                           xFract="0.24191351"
                           y3="6.35493"
                           yFract="0.75295379"
                           z3="9.84444"
                           zFract="0.4430441"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24605"
                           xFract="0.50308649"
                           y3="6.32263"
                           yFract="0.74912678"
                           z3="4.23614"
                           zFract="0.19064536"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09254"
                           xFract="-0.01096445"
                           y3="6.29547"
                           yFract="0.74590877"
                           z3="8.45703"
                           zFract="0.38060441"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31696"
                           xFract="0.74845498"
                           y3="4.21956"
                           yFract="0.49994787"
                           z3="4.22227"
                           zFract="0.19002115"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32277"
                           xFract="0.74914336"
                           y3="6.30118"
                           yFract="0.74658531"
                           z3="6.3484"
                           zFract="0.28570657"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.3002"
                           xFract="0.74646919"
                           y3="4.20329"
                           yFract="0.49802014"
                           z3="8.51753"
                           zFract="0.38332718"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43373"
                           xFract="0.99925711"
                           y3="2.13203"
                           yFract="0.25261019"
                           z3="4.22696"
                           zFract="0.19023222"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22596"
                           xFract="0.50070616"
                           y3="2.09899"
                           yFract="0.2486955"
                           z3="4.20983"
                           zFract="0.1894613"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.3234"
                           xFract="0.51225118"
                           y3="6.28619"
                           yFract="0.74480924"
                           z3="8.48577"
                           zFract="0.38189784"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32443"
                           xFract="0.74934005"
                           y3="-0.02362"
                           yFract="-0.00279858"
                           z3="8.44876"
                           zFract="0.38023222"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1373"
                           xFract="0.2532346"
                           y3="2.1072"
                           yFract="0.24966825"
                           z3="6.31028"
                           zFract="0.283991"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12845"
                           xFract="0.25218602"
                           y3="4.14113"
                           yFract="0.49065521"
                           z3="8.47718"
                           zFract="0.38151125"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12367"
                           xFract="0.25161967"
                           y3="6.33916"
                           yFract="0.75108531"
                           z3="6.18288"
                           zFract="0.27825743"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41045"
                           xFract="0.99649882"
                           y3="2.11797"
                           yFract="0.25094431"
                           z3="8.45062"
                           zFract="0.38031593"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40643"
                           xFract="0.99602251"
                           y3="4.23937"
                           yFract="0.50229502"
                           z3="6.38216"
                           zFract="0.28722592"/>
                     <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="2.11514"
                           xFract="0.250609"
                           y3="-0.00472"
                           yFract="-0.00055924"
                           z3="4.19488"
                           zFract="0.18878848"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23558"
                           xFract="0.50184597"
                           y3="4.21487"
                           yFract="0.49939218"
                           z3="6.41938"
                           zFract="0.28890099"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00665"
                           xFract="-0.00078791"
                           y3="6.35903"
                           yFract="0.75343957"
                           z3="4.1983"
                           zFract="0.18894239"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2238"
                           xFract="0.50045024"
                           y3="8.42133"
                           yFract="0.99778791"
                           z3="6.3563"
                           zFract="0.28606211"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32439"
                           xFract="0.74933531"
                           y3="8.41845"
                           yFract="0.99744668"
                           z3="4.22539"
                           zFract="0.19016157"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26028"
                           xFract="0.50477251"
                           y3="2.11924"
                           yFract="0.25109479"
                           z3="8.54623"
                           zFract="0.38461881"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11074"
                           xFract="0.25008768"
                           y3="4.21778"
                           yFract="0.49973697"
                           z3="4.23111"
                           zFract="0.19041899"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00407"
                           xFract="-0.00048223"
                           y3="-0.00575"
                           yFract="-0.00068128"
                           z3="6.35987"
                           zFract="0.28622277"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15527"
                           xFract="0.25536374"
                           y3="0.10846"
                           yFract="0.01285071"
                           z3="8.47532"
                           zFract="0.38142754"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30346"
                           xFract="0.74685545"
                           y3="2.11538"
                           yFract="0.25063744"
                           z3="6.34859"
                           zFract="0.28571512"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02634"
                           xFract="0.00312085"
                           y3="2.13195"
                           yFract="0.25260071"
                           z3="6.35613"
                           zFract="0.28605446"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13996"
                           xFract="0.25354976"
                           y3="-0.04108"
                           yFract="-0.0048673"
                           z3="6.39223"
                           zFract="0.28767912"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42136"
                           xFract="0.99779147"
                           y3="0.06972"
                           yFract="0.00826066"
                           z3="4.24868"
                           zFract="0.19120972"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01951"
                           xFract="0.00231161"
                           y3="8.41281"
                           yFract="0.99677844"
                           z3="8.54754"
                           zFract="0.38467777"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11892"
                           xFract="0.25105687"
                           y3="2.18921"
                           yFract="0.25938507"
                           z3="4.23144"
                           zFract="0.19043384"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07989"
                           xFract="0.24643246"
                           y3="2.12962"
                           yFract="0.25232464"
                           z3="8.49271"
                           zFract="0.38221017"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20321"
                           xFract="0.49801066"
                           y3="2.13531"
                           yFract="0.25299882"
                           z3="6.31653"
                           zFract="0.28427228"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29619"
                           xFract="0.74599408"
                           y3="8.39405"
                           yFract="0.99455569"
                           z3="6.3650"
                           zFract="0.28645365"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23958"
                           xFract="0.50231991"
                           y3="0.0129"
                           yFract="0.00152844"
                           z3="4.18476"
                           zFract="0.18833303"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21216"
                           xFract="0.49907109"
                           y3="8.38999"
                           yFract="0.99407464"
                           z3="8.71787"
                           zFract="0.39234338"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32401"
                           xFract="0.74929028"
                           y3="2.24403"
                           yFract="0.26588033"
                           z3="4.19544"
                           zFract="0.18881368"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35173"
                           xFract="0.75257464"
                           y3="2.06033"
                           yFract="0.24411493"
                           z3="8.52846"
                           zFract="0.38381908"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03768"
                           xFract="0.00446445"
                           y3="6.32016"
                           yFract="0.74883412"
                           z3="6.35256"
                           zFract="0.28589379"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06649"
                           xFract="0.24484479"
                           y3="4.2725"
                           yFract="0.50622038"
                           z3="6.4463"
                           zFract="0.29011251"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33294"
                           xFract="0.98731517"
                           y3="4.18383"
                           yFract="0.49571445"
                           z3="4.30074"
                           zFract="0.19355266"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00893"
                           xFract="0.00105806"
                           y3="4.21951"
                           yFract="0.49994194"
                           z3="8.51736"
                           zFract="0.38331953"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22706"
                           xFract="0.26386967"
                           y3="6.24101"
                           yFract="0.73945616"
                           z3="4.19575"
                           zFract="0.18882763"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1656"
                           xFract="0.25658768"
                           y3="6.23443"
                           yFract="0.73867654"
                           z3="8.8825"
                           zFract="0.39975248"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16626"
                           xFract="0.4936327"
                           y3="6.28414"
                           yFract="0.74456635"
                           z3="6.44033"
                           zFract="0.28984383"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34671"
                           xFract="0.75197986"
                           y3="4.25001"
                           yFract="0.50355569"
                           z3="6.44038"
                           zFract="0.28984608"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31363"
                           xFract="0.5110936"
                           y3="4.18138"
                           yFract="0.49542417"
                           z3="4.19379"
                           zFract="0.18873942"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21671"
                           xFract="0.49961019"
                           y3="4.21307"
                           yFract="0.49917891"
                           z3="8.75613"
                           zFract="0.39406526"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23021"
                           xFract="0.73817654"
                           y3="6.17547"
                           yFract="0.73169076"
                           z3="4.29527"
                           zFract="0.19330648"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3430"
                           xFract="0.75154028"
                           y3="6.32814"
                           yFract="0.74977962"
                           z3="8.49178"
                           zFract="0.38216832"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.61">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04835"
                           xFract="0.2426955"
                           y3="6.34396"
                           yFract="0.75165403"
                           z3="9.86069"
                           zFract="0.44377543"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24685"
                           xFract="0.50318128"
                           y3="6.32238"
                           yFract="0.74909716"
                           z3="4.23807"
                           zFract="0.19073222"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09102"
                           xFract="-0.01078436"
                           y3="6.2965"
                           yFract="0.74603081"
                           z3="8.4622"
                           zFract="0.38083708"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31718"
                           xFract="0.74848104"
                           y3="4.21901"
                           yFract="0.4998827"
                           z3="4.22422"
                           zFract="0.19010891"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32303"
                           xFract="0.74917417"
                           y3="6.30009"
                           yFract="0.74645616"
                           z3="6.35178"
                           zFract="0.28585869"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29888"
                           xFract="0.7463128"
                           y3="4.20331"
                           yFract="0.49802251"
                           z3="8.5213"
                           zFract="0.38349685"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43374"
                           xFract="0.99925829"
                           y3="2.13303"
                           yFract="0.25272867"
                           z3="4.22849"
                           zFract="0.19030108"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22675"
                           xFract="0.50079976"
                           y3="2.09992"
                           yFract="0.24880569"
                           z3="4.21108"
                           zFract="0.18951755"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32437"
                           xFract="0.51236611"
                           y3="6.28789"
                           yFract="0.74501066"
                           z3="8.49162"
                           zFract="0.38216112"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32482"
                           xFract="0.74938626"
                           y3="-0.02353"
                           yFract="-0.00278791"
                           z3="8.44874"
                           zFract="0.38023132"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13711"
                           xFract="0.25321209"
                           y3="2.10658"
                           yFract="0.24959479"
                           z3="6.31383"
                           zFract="0.28415077"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1272"
                           xFract="0.25203791"
                           y3="4.14056"
                           yFract="0.49058768"
                           z3="8.48183"
                           zFract="0.38172052"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12338"
                           xFract="0.25158531"
                           y3="6.33912"
                           yFract="0.75108057"
                           z3="6.18324"
                           zFract="0.27827363"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41001"
                           xFract="0.99644668"
                           y3="2.11659"
                           yFract="0.25078081"
                           z3="8.45383"
                           zFract="0.3804604"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40611"
                           xFract="0.9959846"
                           y3="4.23953"
                           yFract="0.50231398"
                           z3="6.38605"
                           zFract="0.28740099"/>
                     <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="2.11659"
                           xFract="0.25078081"
                           y3="-0.00349"
                           yFract="-0.00041351"
                           z3="4.19652"
                           zFract="0.18886229"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23438"
                           xFract="0.50170379"
                           y3="4.21481"
                           yFract="0.49938507"
                           z3="6.42515"
                           zFract="0.28916067"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00637"
                           xFract="-0.00075474"
                           y3="6.3595"
                           yFract="0.75349526"
                           z3="4.19988"
                           zFract="0.1890135"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2235"
                           xFract="0.50041469"
                           y3="8.42118"
                           yFract="0.99777014"
                           z3="6.36029"
                           zFract="0.28624167"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32501"
                           xFract="0.74940877"
                           y3="8.41724"
                           yFract="0.99730332"
                           z3="4.22506"
                           zFract="0.19014671"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.25897"
                           xFract="0.5046173"
                           y3="2.11817"
                           yFract="0.25096801"
                           z3="8.54987"
                           zFract="0.38478263"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11165"
                           xFract="0.2501955"
                           y3="4.21773"
                           yFract="0.49973104"
                           z3="4.2328"
                           zFract="0.19049505"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00343"
                           xFract="-0.0004064"
                           y3="-0.00595"
                           yFract="-0.00070498"
                           z3="6.36033"
                           zFract="0.28624347"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15489"
                           xFract="0.25531872"
                           y3="0.10361"
                           yFract="0.01227607"
                           z3="8.48055"
                           zFract="0.38166292"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30281"
                           xFract="0.74677844"
                           y3="2.11517"
                           yFract="0.25061256"
                           z3="6.35011"
                           zFract="0.28578353"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02624"
                           xFract="0.003109"
                           y3="2.13238"
                           yFract="0.25265166"
                           z3="6.35814"
                           zFract="0.28614491"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13897"
                           xFract="0.25343246"
                           y3="-0.04287"
                           yFract="-0.00507938"
                           z3="6.39657"
                           zFract="0.28787444"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42574"
                           xFract="0.99831043"
                           y3="0.07013"
                           yFract="0.00830924"
                           z3="4.2487"
                           zFract="0.19121062"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01613"
                           xFract="0.00191114"
                           y3="8.41399"
                           yFract="0.99691825"
                           z3="8.55062"
                           zFract="0.38481638"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11934"
                           xFract="0.25110664"
                           y3="2.19169"
                           yFract="0.25967891"
                           z3="4.23458"
                           zFract="0.19057516"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08037"
                           xFract="0.24648934"
                           y3="2.12834"
                           yFract="0.25217299"
                           z3="8.49909"
                           zFract="0.3824973"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20243"
                           xFract="0.49791825"
                           y3="2.13426"
                           yFract="0.25287441"
                           z3="6.31915"
                           zFract="0.28439019"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29645"
                           xFract="0.74602488"
                           y3="8.39312"
                           yFract="0.9944455"
                           z3="6.3630"
                           zFract="0.28636364"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23764"
                           xFract="0.50209005"
                           y3="0.01161"
                           yFract="0.00137559"
                           z3="4.18683"
                           zFract="0.18842619"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21482"
                           xFract="0.49938626"
                           y3="8.39026"
                           yFract="0.99410664"
                           z3="8.71982"
                           zFract="0.39243114"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32406"
                           xFract="0.74929621"
                           y3="2.24486"
                           yFract="0.26597867"
                           z3="4.19703"
                           zFract="0.18888524"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35051"
                           xFract="0.75243009"
                           y3="2.06142"
                           yFract="0.24424408"
                           z3="8.52878"
                           zFract="0.38383348"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03805"
                           xFract="0.00450829"
                           y3="6.32014"
                           yFract="0.74883175"
                           z3="6.35719"
                           zFract="0.28610216"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06609"
                           xFract="0.24479739"
                           y3="4.27356"
                           yFract="0.50634597"
                           z3="6.44988"
                           zFract="0.29027363"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3309"
                           xFract="0.98707346"
                           y3="4.18469"
                           yFract="0.49581635"
                           z3="4.30354"
                           zFract="0.19367867"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00994"
                           xFract="0.00117773"
                           y3="4.21873"
                           yFract="0.49984953"
                           z3="8.52363"
                           zFract="0.38360171"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22818"
                           xFract="0.26400237"
                           y3="6.23896"
                           yFract="0.73921327"
                           z3="4.19615"
                           zFract="0.18884563"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16206"
                           xFract="0.25616825"
                           y3="6.23844"
                           yFract="0.73915166"
                           z3="8.90258"
                           zFract="0.40065617"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16331"
                           xFract="0.49328318"
                           y3="6.28491"
                           yFract="0.74465758"
                           z3="6.44392"
                           zFract="0.2900054"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34616"
                           xFract="0.75191469"
                           y3="4.24973"
                           yFract="0.50352251"
                           z3="6.4447"
                           zFract="0.2900405"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31548"
                           xFract="0.5113128"
                           y3="4.18116"
                           yFract="0.4953981"
                           z3="4.19628"
                           zFract="0.18885149"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2146"
                           xFract="0.49936019"
                           y3="4.21365"
                           yFract="0.49924763"
                           z3="8.75963"
                           zFract="0.39422277"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23106"
                           xFract="0.73827725"
                           y3="6.17261"
                           yFract="0.7313519"
                           z3="4.29852"
                           zFract="0.19345275"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34317"
                           xFract="0.75156043"
                           y3="6.32695"
                           yFract="0.74963863"
                           z3="8.49452"
                           zFract="0.38229163"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.62">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04448"
                           xFract="0.24223697"
                           y3="6.35039"
                           yFract="0.75241588"
                           z3="9.85117"
                           zFract="0.44334698"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24638"
                           xFract="0.50312559"
                           y3="6.32253"
                           yFract="0.74911493"
                           z3="4.23694"
                           zFract="0.19068137"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09191"
                           xFract="-0.01088981"
                           y3="6.2959"
                           yFract="0.74595972"
                           z3="8.45917"
                           zFract="0.38070072"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31705"
                           xFract="0.74846564"
                           y3="4.21933"
                           yFract="0.49992062"
                           z3="4.22308"
                           zFract="0.19005761"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32288"
                           xFract="0.7491564"
                           y3="6.30073"
                           yFract="0.74653199"
                           z3="6.3498"
                           zFract="0.28576958"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29966"
                           xFract="0.74640521"
                           y3="4.2033"
                           yFract="0.49802133"
                           z3="8.51909"
                           zFract="0.38339739"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43374"
                           xFract="0.99925829"
                           y3="2.13244"
                           yFract="0.25265877"
                           z3="4.22759"
                           zFract="0.19026058"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22629"
                           xFract="0.50074526"
                           y3="2.09937"
                           yFract="0.24874052"
                           z3="4.21035"
                           zFract="0.1894847"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.3238"
                           xFract="0.51229858"
                           y3="6.28689"
                           yFract="0.74489218"
                           z3="8.48819"
                           zFract="0.38200675"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32459"
                           xFract="0.749359"
                           y3="-0.02358"
                           yFract="-0.00279384"
                           z3="8.44875"
                           zFract="0.38023177"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13722"
                           xFract="0.25322512"
                           y3="2.10694"
                           yFract="0.24963744"
                           z3="6.31175"
                           zFract="0.28405716"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12793"
                           xFract="0.25212441"
                           y3="4.14089"
                           yFract="0.49062678"
                           z3="8.4791"
                           zFract="0.38159766"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12355"
                           xFract="0.25160545"
                           y3="6.33914"
                           yFract="0.75108294"
                           z3="6.18303"
                           zFract="0.27826418"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41027"
                           xFract="0.99647749"
                           y3="2.1174"
                           yFract="0.25087678"
                           z3="8.45195"
                           zFract="0.38037579"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.4063"
                           xFract="0.99600711"
                           y3="4.23944"
                           yFract="0.50230332"
                           z3="6.38377"
                           zFract="0.28729838"/>
                     <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="2.11574"
                           xFract="0.25068009"
                           y3="-0.00421"
                           yFract="-0.00049882"
                           z3="4.19556"
                           zFract="0.18881908"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23508"
                           xFract="0.50178673"
                           y3="4.21485"
                           yFract="0.49938981"
                           z3="6.42177"
                           zFract="0.28900855"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00653"
                           xFract="-0.0007737"
                           y3="6.35922"
                           yFract="0.75346209"
                           z3="4.19895"
                           zFract="0.18897165"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22368"
                           xFract="0.50043602"
                           y3="8.42127"
                           yFract="0.99778081"
                           z3="6.35795"
                           zFract="0.28613636"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32465"
                           xFract="0.74936611"
                           y3="8.41795"
                           yFract="0.99738744"
                           z3="4.22525"
                           zFract="0.19015527"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.25974"
                           xFract="0.50470853"
                           y3="2.1188"
                           yFract="0.25104265"
                           z3="8.54774"
                           zFract="0.38468677"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11112"
                           xFract="0.2501327"
                           y3="4.21776"
                           yFract="0.4997346"
                           z3="4.23181"
                           zFract="0.1904505"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00381"
                           xFract="-0.00045142"
                           y3="-0.00583"
                           yFract="-0.00069076"
                           z3="6.36006"
                           zFract="0.28623132"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15512"
                           xFract="0.25534597"
                           y3="0.10645"
                           yFract="0.01261256"
                           z3="8.47749"
                           zFract="0.3815252"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30319"
                           xFract="0.74682346"
                           y3="2.11529"
                           yFract="0.25062678"
                           z3="6.34922"
                           zFract="0.28574347"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0263"
                           xFract="0.00311611"
                           y3="2.13213"
                           yFract="0.25262204"
                           z3="6.35696"
                           zFract="0.28609181"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13955"
                           xFract="0.25350118"
                           y3="-0.04182"
                           yFract="-0.00495498"
                           z3="6.39403"
                           zFract="0.28776013"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42317"
                           xFract="0.99800592"
                           y3="0.06989"
                           yFract="0.00828081"
                           z3="4.24869"
                           zFract="0.19121017"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01811"
                           xFract="0.00214573"
                           y3="8.4133"
                           yFract="0.99683649"
                           z3="8.54881"
                           zFract="0.38473492"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11909"
                           xFract="0.25107701"
                           y3="2.19024"
                           yFract="0.25950711"
                           z3="4.23274"
                           zFract="0.19049235"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08009"
                           xFract="0.24645616"
                           y3="2.12909"
                           yFract="0.25226185"
                           z3="8.49535"
                           zFract="0.38232898"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20288"
                           xFract="0.49797156"
                           y3="2.13487"
                           yFract="0.25294668"
                           z3="6.31762"
                           zFract="0.28432133"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.2963"
                           xFract="0.74600711"
                           y3="8.39367"
                           yFract="0.99451066"
                           z3="6.36417"
                           zFract="0.28641629"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23878"
                           xFract="0.50222512"
                           y3="0.01237"
                           yFract="0.00146564"
                           z3="4.18562"
                           zFract="0.18837174"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21326"
                           xFract="0.49920142"
                           y3="8.3901"
                           yFract="0.99408768"
                           z3="8.71868"
                           zFract="0.39237984"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32403"
                           xFract="0.74929265"
                           y3="2.24437"
                           yFract="0.26592062"
                           z3="4.1961"
                           zFract="0.18884338"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35122"
                           xFract="0.75251422"
                           y3="2.06078"
                           yFract="0.24416825"
                           z3="8.5286"
                           zFract="0.38382538"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03784"
                           xFract="0.00448341"
                           y3="6.32015"
                           yFract="0.74883294"
                           z3="6.35448"
                           zFract="0.2859802"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06633"
                           xFract="0.24482583"
                           y3="4.27294"
                           yFract="0.50627251"
                           z3="6.44778"
                           zFract="0.29017912"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33209"
                           xFract="0.98721445"
                           y3="4.18419"
                           yFract="0.49575711"
                           z3="4.3019"
                           zFract="0.19360486"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00935"
                           xFract="0.00110782"
                           y3="4.21919"
                           yFract="0.49990403"
                           z3="8.51995"
                           zFract="0.38343609"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22753"
                           xFract="0.26392536"
                           y3="6.24016"
                           yFract="0.73935545"
                           z3="4.19592"
                           zFract="0.18883528"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16414"
                           xFract="0.25641469"
                           y3="6.23609"
                           yFract="0.73887322"
                           z3="8.89082"
                           zFract="0.40012691"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16504"
                           xFract="0.49348815"
                           y3="6.28446"
                           yFract="0.74460427"
                           z3="6.44182"
                           zFract="0.28991089"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34648"
                           xFract="0.75195261"
                           y3="4.24989"
                           yFract="0.50354147"
                           z3="6.44217"
                           zFract="0.28992664"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3144"
                           xFract="0.51118483"
                           y3="4.18129"
                           yFract="0.49541351"
                           z3="4.19483"
                           zFract="0.18878623"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21583"
                           xFract="0.49950592"
                           y3="4.21331"
                           yFract="0.49920735"
                           z3="8.75758"
                           zFract="0.39413051"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23056"
                           xFract="0.73821801"
                           y3="6.17429"
                           yFract="0.73155095"
                           z3="4.29662"
                           zFract="0.19336724"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34307"
                           xFract="0.75154858"
                           y3="6.32765"
                           yFract="0.74972156"
                           z3="8.49291"
                           zFract="0.38221917"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.63">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.0441"
                           xFract="0.24219194"
                           y3="6.35103"
                           yFract="0.75249171"
                           z3="9.85021"
                           zFract="0.44330378"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24633"
                           xFract="0.50311967"
                           y3="6.32254"
                           yFract="0.74911611"
                           z3="4.23683"
                           zFract="0.19067642"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.0920"
                           xFract="-0.01090047"
                           y3="6.29584"
                           yFract="0.74595261"
                           z3="8.45887"
                           zFract="0.38068722"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31704"
                           xFract="0.74846445"
                           y3="4.21937"
                           yFract="0.49992536"
                           z3="4.22296"
                           zFract="0.19005221"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32287"
                           xFract="0.74915521"
                           y3="6.3008"
                           yFract="0.74654028"
                           z3="6.3496"
                           zFract="0.28576058"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29973"
                           xFract="0.74641351"
                           y3="4.2033"
                           yFract="0.49802133"
                           z3="8.51887"
                           zFract="0.38338749"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43374"
                           xFract="0.99925829"
                           y3="2.13239"
                           yFract="0.25265284"
                           z3="4.2275"
                           zFract="0.19025653"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22624"
                           xFract="0.50073934"
                           y3="2.09932"
                           yFract="0.2487346"
                           z3="4.21028"
                           zFract="0.18948155"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32375"
                           xFract="0.51229265"
                           y3="6.28679"
                           yFract="0.74488033"
                           z3="8.48785"
                           zFract="0.38199145"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32457"
                           xFract="0.74935664"
                           y3="-0.02359"
                           yFract="-0.00279502"
                           z3="8.44875"
                           zFract="0.38023177"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13723"
                           xFract="0.2532263"
                           y3="2.10698"
                           yFract="0.24964218"
                           z3="6.31154"
                           zFract="0.2840477"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12801"
                           xFract="0.25213389"
                           y3="4.14093"
                           yFract="0.49063152"
                           z3="8.47883"
                           zFract="0.38158551"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12357"
                           xFract="0.25160782"
                           y3="6.33914"
                           yFract="0.75108294"
                           z3="6.18301"
                           zFract="0.27826328"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41029"
                           xFract="0.99647986"
                           y3="2.11748"
                           yFract="0.25088626"
                           z3="8.45176"
                           zFract="0.38036724"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40631"
                           xFract="0.99600829"
                           y3="4.23943"
                           yFract="0.50230213"
                           z3="6.38354"
                           zFract="0.28728803"/>
                     <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="2.11566"
                           xFract="0.25067062"
                           y3="-0.00429"
                           yFract="-0.00050829"
                           z3="4.19546"
                           zFract="0.18881458"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23515"
                           xFract="0.50179502"
                           y3="4.21485"
                           yFract="0.49938981"
                           z3="6.42143"
                           zFract="0.28899325"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00655"
                           xFract="-0.00077607"
                           y3="6.3592"
                           yFract="0.75345972"
                           z3="4.19886"
                           zFract="0.1889676"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2237"
                           xFract="0.50043839"
                           y3="8.42128"
                           yFract="0.99778199"
                           z3="6.35772"
                           zFract="0.28612601"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32461"
                           xFract="0.74936137"
                           y3="8.41802"
                           yFract="0.99739573"
                           z3="4.22527"
                           zFract="0.19015617"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.25981"
                           xFract="0.50471682"
                           y3="2.11886"
                           yFract="0.25104976"
                           z3="8.54753"
                           zFract="0.38467732"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11106"
                           xFract="0.25012559"
                           y3="4.21776"
                           yFract="0.4997346"
                           z3="4.23171"
                           zFract="0.19044599"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00385"
                           xFract="-0.00045616"
                           y3="-0.00582"
                           yFract="-0.00068957"
                           z3="6.36004"
                           zFract="0.28623042"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15514"
                           xFract="0.25534834"
                           y3="0.10673"
                           yFract="0.01264573"
                           z3="8.47718"
                           zFract="0.38151125"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30323"
                           xFract="0.7468282"
                           y3="2.1153"
                           yFract="0.25062796"
                           z3="6.34913"
                           zFract="0.28573942"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0263"
                           xFract="0.00311611"
                           y3="2.13211"
                           yFract="0.25261967"
                           z3="6.35684"
                           zFract="0.28608641"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13961"
                           xFract="0.25350829"
                           y3="-0.04172"
                           yFract="-0.00494313"
                           z3="6.39377"
                           zFract="0.28774842"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42291"
                           xFract="0.99797512"
                           y3="0.06986"
                           yFract="0.00827725"
                           z3="4.24868"
                           zFract="0.19120972"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01831"
                           xFract="0.00216943"
                           y3="8.41323"
                           yFract="0.9968282"
                           z3="8.54863"
                           zFract="0.38472682"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11907"
                           xFract="0.25107464"
                           y3="2.19009"
                           yFract="0.25948934"
                           z3="4.23256"
                           zFract="0.19048425"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08006"
                           xFract="0.24645261"
                           y3="2.12917"
                           yFract="0.25227133"
                           z3="8.49498"
                           zFract="0.38231233"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20293"
                           xFract="0.49797749"
                           y3="2.13494"
                           yFract="0.25295498"
                           z3="6.31746"
                           zFract="0.28431413"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29628"
                           xFract="0.74600474"
                           y3="8.39372"
                           yFract="0.99451659"
                           z3="6.36429"
                           zFract="0.28642169"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23889"
                           xFract="0.50223815"
                           y3="0.01244"
                           yFract="0.00147393"
                           z3="4.1855"
                           zFract="0.18836634"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2131"
                           xFract="0.49918246"
                           y3="8.39009"
                           yFract="0.99408649"
                           z3="8.71856"
                           zFract="0.39237444"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32402"
                           xFract="0.74929147"
                           y3="2.24432"
                           yFract="0.26591469"
                           z3="4.19601"
                           zFract="0.18883933"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35129"
                           xFract="0.75252251"
                           y3="2.06072"
                           yFract="0.24416114"
                           z3="8.52858"
                           zFract="0.38382448"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03781"
                           xFract="0.00447986"
                           y3="6.32015"
                           yFract="0.74883294"
                           z3="6.35421"
                           zFract="0.28596805"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06635"
                           xFract="0.2448282"
                           y3="4.27288"
                           yFract="0.5062654"
                           z3="6.44757"
                           zFract="0.29016967"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33221"
                           xFract="0.98722867"
                           y3="4.18414"
                           yFract="0.49575118"
                           z3="4.30173"
                           zFract="0.19359721"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00929"
                           xFract="0.00110071"
                           y3="4.21924"
                           yFract="0.49990995"
                           z3="8.51959"
                           zFract="0.38341989"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22746"
                           xFract="0.26391706"
                           y3="6.24028"
                           yFract="0.73936967"
                           z3="4.1959"
                           zFract="0.18883438"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16434"
                           xFract="0.25643839"
                           y3="6.23585"
                           yFract="0.73884479"
                           z3="8.88964"
                           zFract="0.40007381"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16521"
                           xFract="0.49350829"
                           y3="6.28441"
                           yFract="0.74459834"
                           z3="6.44161"
                           zFract="0.28990144"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34651"
                           xFract="0.75195616"
                           y3="4.24991"
                           yFract="0.50354384"
                           z3="6.44192"
                           zFract="0.28991539"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31429"
                           xFract="0.5111718"
                           y3="4.1813"
                           yFract="0.49541469"
                           z3="4.19468"
                           zFract="0.18877948"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21596"
                           xFract="0.49952133"
                           y3="4.21327"
                           yFract="0.49920261"
                           z3="8.75737"
                           zFract="0.39412106"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23051"
                           xFract="0.73821209"
                           y3="6.17445"
                           yFract="0.73156991"
                           z3="4.29643"
                           zFract="0.19335869"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34306"
                           xFract="0.75154739"
                           y3="6.32772"
                           yFract="0.74972986"
                           z3="8.49275"
                           zFract="0.38221197"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.64">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04426"
                           xFract="0.2422109"
                           y3="6.3508"
                           yFract="0.75246445"
                           z3="9.8511"
                           zFract="0.44334383"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2463"
                           xFract="0.50311611"
                           y3="6.32248"
                           yFract="0.749109"
                           z3="4.2368"
                           zFract="0.19067507"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09201"
                           xFract="-0.01090166"
                           y3="6.29599"
                           yFract="0.74597038"
                           z3="8.45903"
                           zFract="0.38069442"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31694"
                           xFract="0.74845261"
                           y3="4.2194"
                           yFract="0.49992891"
                           z3="4.22321"
                           zFract="0.19006346"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32276"
                           xFract="0.74914218"
                           y3="6.30068"
                           yFract="0.74652607"
                           z3="6.34957"
                           zFract="0.28575923"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29958"
                           xFract="0.74639573"
                           y3="4.20312"
                           yFract="0.4980"
                           z3="8.51904"
                           zFract="0.38339514"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43362"
                           xFract="0.99924408"
                           y3="2.13237"
                           yFract="0.25265047"
                           z3="4.22783"
                           zFract="0.19027138"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22634"
                           xFract="0.50075118"
                           y3="2.09934"
                           yFract="0.24873697"
                           z3="4.21005"
                           zFract="0.1894712"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32382"
                           xFract="0.51230095"
                           y3="6.28677"
                           yFract="0.74487796"
                           z3="8.48786"
                           zFract="0.3819919"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32433"
                           xFract="0.7493282"
                           y3="-0.02335"
                           yFract="-0.00276659"
                           z3="8.44868"
                           zFract="0.38022862"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13737"
                           xFract="0.25324289"
                           y3="2.10691"
                           yFract="0.24963389"
                           z3="6.31171"
                           zFract="0.28405536"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12805"
                           xFract="0.25213863"
                           y3="4.1406"
                           yFract="0.49059242"
                           z3="8.47878"
                           zFract="0.38158326"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12352"
                           xFract="0.2516019"
                           y3="6.33918"
                           yFract="0.75108768"
                           z3="6.18298"
                           zFract="0.27826193"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.4103"
                           xFract="0.99648104"
                           y3="2.1175"
                           yFract="0.25088863"
                           z3="8.45178"
                           zFract="0.38036814"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40635"
                           xFract="0.99601303"
                           y3="4.23956"
                           yFract="0.50231754"
                           z3="6.38378"
                           zFract="0.28729883"/>
                     <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="2.11577"
                           xFract="0.25068365"
                           y3="-0.00421"
                           yFract="-0.00049882"
                           z3="4.19558"
                           zFract="0.18881998"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23503"
                           xFract="0.50178081"
                           y3="4.21491"
                           yFract="0.49939692"
                           z3="6.42149"
                           zFract="0.28899595"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00661"
                           xFract="-0.00078318"
                           y3="6.35915"
                           yFract="0.75345379"
                           z3="4.19888"
                           zFract="0.1889685"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22355"
                           xFract="0.50042062"
                           y3="8.42128"
                           yFract="0.99778199"
                           z3="6.35774"
                           zFract="0.28612691"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32457"
                           xFract="0.74935664"
                           y3="8.41807"
                           yFract="0.99740166"
                           z3="4.22532"
                           zFract="0.19015842"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.25992"
                           xFract="0.50472986"
                           y3="2.11881"
                           yFract="0.25104384"
                           z3="8.54755"
                           zFract="0.38467822"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11108"
                           xFract="0.25012796"
                           y3="4.21774"
                           yFract="0.49973223"
                           z3="4.23183"
                           zFract="0.1904514"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00366"
                           xFract="-0.00043365"
                           y3="-0.00588"
                           yFract="-0.00069668"
                           z3="6.36016"
                           zFract="0.28623582"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15498"
                           xFract="0.25532938"
                           y3="0.1068"
                           yFract="0.01265403"
                           z3="8.47732"
                           zFract="0.38151755"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30312"
                           xFract="0.74681517"
                           y3="2.11535"
                           yFract="0.25063389"
                           z3="6.34919"
                           zFract="0.28574212"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02632"
                           xFract="0.00311848"
                           y3="2.13215"
                           yFract="0.25262441"
                           z3="6.35688"
                           zFract="0.28608821"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13954"
                           xFract="0.2535"
                           y3="-0.04182"
                           yFract="-0.00495498"
                           z3="6.39391"
                           zFract="0.28775473"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42314"
                           xFract="0.99800237"
                           y3="0.06977"
                           yFract="0.00826659"
                           z3="4.24876"
                           zFract="0.19121332"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01819"
                           xFract="0.00215521"
                           y3="8.41293"
                           yFract="0.99679265"
                           z3="8.54886"
                           zFract="0.38473717"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1190"
                           xFract="0.25106635"
                           y3="2.19007"
                           yFract="0.25948697"
                           z3="4.23268"
                           zFract="0.19048965"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08005"
                           xFract="0.24645142"
                           y3="2.12951"
                           yFract="0.25231161"
                           z3="8.49523"
                           zFract="0.38232358"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20301"
                           xFract="0.49798697"
                           y3="2.13487"
                           yFract="0.25294668"
                           z3="6.31748"
                           zFract="0.28431503"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.2963"
                           xFract="0.74600711"
                           y3="8.39367"
                           yFract="0.99451066"
                           z3="6.36438"
                           zFract="0.28642574"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23872"
                           xFract="0.50221801"
                           y3="0.01248"
                           yFract="0.00147867"
                           z3="4.18562"
                           zFract="0.18837174"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21323"
                           xFract="0.49919787"
                           y3="8.38997"
                           yFract="0.99407227"
                           z3="8.71879"
                           zFract="0.39238479"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32406"
                           xFract="0.74929621"
                           y3="2.24419"
                           yFract="0.26589929"
                           z3="4.19621"
                           zFract="0.18884833"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35121"
                           xFract="0.75251303"
                           y3="2.06066"
                           yFract="0.24415403"
                           z3="8.52879"
                           zFract="0.38383393"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0378"
                           xFract="0.00447867"
                           y3="6.32015"
                           yFract="0.74883294"
                           z3="6.35458"
                           zFract="0.2859847"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06621"
                           xFract="0.24481161"
                           y3="4.27277"
                           yFract="0.50625237"
                           z3="6.44785"
                           zFract="0.29018227"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33215"
                           xFract="0.98722156"
                           y3="4.18426"
                           yFract="0.4957654"
                           z3="4.30172"
                           zFract="0.19359676"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00928"
                           xFract="0.00109953"
                           y3="4.21932"
                           yFract="0.49991943"
                           z3="8.51969"
                           zFract="0.38342439"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22751"
                           xFract="0.26392299"
                           y3="6.24021"
                           yFract="0.73936137"
                           z3="4.19586"
                           zFract="0.18883258"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1643"
                           xFract="0.25643365"
                           y3="6.23569"
                           yFract="0.73882583"
                           z3="8.89035"
                           zFract="0.40010576"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16538"
                           xFract="0.49352844"
                           y3="6.28434"
                           yFract="0.74459005"
                           z3="6.44174"
                           zFract="0.28990729"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34654"
                           xFract="0.75195972"
                           y3="4.24993"
                           yFract="0.50354621"
                           z3="6.4420"
                           zFract="0.28991899"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31446"
                           xFract="0.51119194"
                           y3="4.18131"
                           yFract="0.49541588"
                           z3="4.19463"
                           zFract="0.18877723"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21597"
                           xFract="0.49952251"
                           y3="4.21331"
                           yFract="0.49920735"
                           z3="8.75772"
                           zFract="0.39413681"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23053"
                           xFract="0.73821445"
                           y3="6.17443"
                           yFract="0.73156754"
                           z3="4.29659"
                           zFract="0.19336589"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34324"
                           xFract="0.75156872"
                           y3="6.32786"
                           yFract="0.74974645"
                           z3="8.49293"
                           zFract="0.38222007"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.65">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04475"
                           xFract="0.24226896"
                           y3="6.35009"
                           yFract="0.75238033"
                           z3="9.85376"
                           zFract="0.44346355"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24619"
                           xFract="0.50310308"
                           y3="6.3223"
                           yFract="0.74908768"
                           z3="4.23671"
                           zFract="0.19067102"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09204"
                           xFract="-0.01090521"
                           y3="6.29643"
                           yFract="0.74602251"
                           z3="8.45953"
                           zFract="0.38071692"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31665"
                           xFract="0.74841825"
                           y3="4.21952"
                           yFract="0.49994313"
                           z3="4.22395"
                           zFract="0.19009676"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32244"
                           xFract="0.74910427"
                           y3="6.30034"
                           yFract="0.74648578"
                           z3="6.34949"
                           zFract="0.28575563"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29913"
                           xFract="0.74634242"
                           y3="4.2026"
                           yFract="0.49793839"
                           z3="8.51956"
                           zFract="0.38341854"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43325"
                           xFract="0.99920024"
                           y3="2.13232"
                           yFract="0.25264455"
                           z3="4.22882"
                           zFract="0.19031593"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22663"
                           xFract="0.50078555"
                           y3="2.0994"
                           yFract="0.24874408"
                           z3="4.20935"
                           zFract="0.18943969"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32405"
                           xFract="0.5123282"
                           y3="6.28669"
                           yFract="0.74486848"
                           z3="8.48789"
                           zFract="0.38199325"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32361"
                           xFract="0.74924289"
                           y3="-0.02262"
                           yFract="-0.00268009"
                           z3="8.44848"
                           zFract="0.38021962"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13777"
                           xFract="0.25329028"
                           y3="2.10671"
                           yFract="0.24961019"
                           z3="6.31221"
                           zFract="0.28407786"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12818"
                           xFract="0.25215403"
                           y3="4.13961"
                           yFract="0.49047512"
                           z3="8.47861"
                           zFract="0.38157561"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12337"
                           xFract="0.25158412"
                           y3="6.3393"
                           yFract="0.7511019"
                           z3="6.18288"
                           zFract="0.27825743"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41031"
                           xFract="0.99648223"
                           y3="2.11757"
                           yFract="0.25089692"
                           z3="8.45183"
                           zFract="0.38037039"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40647"
                           xFract="0.99602725"
                           y3="4.23996"
                           yFract="0.50236493"
                           z3="6.3845"
                           zFract="0.28733123"/>
                     <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="2.11612"
                           xFract="0.25072512"
                           y3="-0.00399"
                           yFract="-0.00047275"
                           z3="4.19594"
                           zFract="0.18883618"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23467"
                           xFract="0.50173815"
                           y3="4.21509"
                           yFract="0.49941825"
                           z3="6.42166"
                           zFract="0.2890036"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00679"
                           xFract="-0.0008045"
                           y3="6.3590"
                           yFract="0.75343602"
                           z3="4.19894"
                           zFract="0.1889712"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22313"
                           xFract="0.50037085"
                           y3="8.42129"
                           yFract="0.99778318"
                           z3="6.3578"
                           zFract="0.28612961"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32443"
                           xFract="0.74934005"
                           y3="8.41822"
                           yFract="0.99741943"
                           z3="4.22546"
                           zFract="0.19016472"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26025"
                           xFract="0.50476896"
                           y3="2.11866"
                           yFract="0.25102607"
                           z3="8.54762"
                           zFract="0.38468137"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11114"
                           xFract="0.25013507"
                           y3="4.21767"
                           yFract="0.49972393"
                           z3="4.23218"
                           zFract="0.19046715"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00312"
                           xFract="-0.00036967"
                           y3="-0.00606"
                           yFract="-0.00071801"
                           z3="6.36055"
                           zFract="0.28625338"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15451"
                           xFract="0.2552737"
                           y3="0.1070"
                           yFract="0.01267773"
                           z3="8.47775"
                           zFract="0.3815369"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30277"
                           xFract="0.7467737"
                           y3="2.11547"
                           yFract="0.2506481"
                           z3="6.34937"
                           zFract="0.28575023"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02639"
                           xFract="0.00312678"
                           y3="2.1323"
                           yFract="0.25264218"
                           z3="6.35699"
                           zFract="0.28609316"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13932"
                           xFract="0.25347393"
                           y3="-0.04214"
                           yFract="-0.00499289"
                           z3="6.39433"
                           zFract="0.28777363"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.4238"
                           xFract="0.99808057"
                           y3="0.0695"
                           yFract="0.0082346"
                           z3="4.24898"
                           zFract="0.19122322"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01786"
                           xFract="0.00211611"
                           y3="8.41205"
                           yFract="0.99668839"
                           z3="8.54956"
                           zFract="0.38476868"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11881"
                           xFract="0.25104384"
                           y3="2.19002"
                           yFract="0.25948104"
                           z3="4.23306"
                           zFract="0.19050675"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08002"
                           xFract="0.24644787"
                           y3="2.13053"
                           yFract="0.25243246"
                           z3="8.49599"
                           zFract="0.38235779"/>
                     <atom elementType="O"
                           id="a52"
                           x3="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="2.13465"
                           yFract="0.25292062"
                           z3="6.31755"
                           zFract="0.28431818"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29635"
                           xFract="0.74601303"
                           y3="8.39352"
                           yFract="0.99449289"
                           z3="6.36464"
                           zFract="0.28643744"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23821"
                           xFract="0.50215758"
                           y3="0.0126"
                           yFract="0.00149289"
                           z3="4.18601"
                           zFract="0.18838929"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2136"
                           xFract="0.49924171"
                           y3="8.38963"
                           yFract="0.99403199"
                           z3="8.71948"
                           zFract="0.39241584"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32415"
                           xFract="0.74930687"
                           y3="2.2438"
                           yFract="0.26585308"
                           z3="4.1968"
                           zFract="0.18887489"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35097"
                           xFract="0.7524846"
                           y3="2.06049"
                           yFract="0.24413389"
                           z3="8.52941"
                           zFract="0.38386184"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03775"
                           xFract="0.00447275"
                           y3="6.32013"
                           yFract="0.74883057"
                           z3="6.35571"
                           zFract="0.28603555"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06578"
                           xFract="0.24476066"
                           y3="4.27244"
                           yFract="0.50621327"
                           z3="6.4487"
                           zFract="0.29022052"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33195"
                           xFract="0.98719787"
                           y3="4.18463"
                           yFract="0.49580924"
                           z3="4.30168"
                           zFract="0.19359496"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00925"
                           xFract="0.00109597"
                           y3="4.21956"
                           yFract="0.49994787"
                           z3="8.5200"
                           zFract="0.38343834"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22766"
                           xFract="0.26394076"
                           y3="6.23999"
                           yFract="0.73933531"
                           z3="4.19574"
                           zFract="0.18882718"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16416"
                           xFract="0.25641706"
                           y3="6.23519"
                           yFract="0.73876659"
                           z3="8.8925"
                           zFract="0.40020252"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16588"
                           xFract="0.49358768"
                           y3="6.28412"
                           yFract="0.74456398"
                           z3="6.44215"
                           zFract="0.28992574"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34663"
                           xFract="0.75197038"
                           y3="4.2500"
                           yFract="0.5035545"
                           z3="6.44223"
                           zFract="0.28992934"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31496"
                           xFract="0.51125118"
                           y3="4.18134"
                           yFract="0.49541943"
                           z3="4.19449"
                           zFract="0.18877093"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21601"
                           xFract="0.49952725"
                           y3="4.21341"
                           yFract="0.49921919"
                           z3="8.75877"
                           zFract="0.39418407"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2306"
                           xFract="0.73822275"
                           y3="6.17434"
                           yFract="0.73155687"
                           z3="4.29708"
                           zFract="0.19338794"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34379"
                           xFract="0.75163389"
                           y3="6.3283"
                           yFract="0.74979858"
                           z3="8.49349"
                           zFract="0.38224527"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" 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="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.66">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04573"
                           xFract="0.24238507"
                           y3="6.34868"
                           yFract="0.75221327"
                           z3="9.85907"
                           zFract="0.44370252"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24597"
                           xFract="0.50307701"
                           y3="6.32193"
                           yFract="0.74904384"
                           z3="4.23654"
                           zFract="0.19066337"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09209"
                           xFract="-0.01091114"
                           y3="6.29731"
                           yFract="0.74612678"
                           z3="8.46053"
                           zFract="0.38076193"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31606"
                           xFract="0.74834834"
                           y3="4.21974"
                           yFract="0.49996919"
                           z3="4.22543"
                           zFract="0.19016337"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32181"
                           xFract="0.74902962"
                           y3="6.29967"
                           yFract="0.7464064"
                           z3="6.34932"
                           zFract="0.28574797"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29824"
                           xFract="0.74623697"
                           y3="4.20157"
                           yFract="0.49781635"
                           z3="8.5206"
                           zFract="0.38346535"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43252"
                           xFract="0.99911374"
                           y3="2.13223"
                           yFract="0.25263389"
                           z3="4.23079"
                           zFract="0.19040459"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22722"
                           xFract="0.50085545"
                           y3="2.09951"
                           yFract="0.24875711"
                           z3="4.20795"
                           zFract="0.18937669"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.3245"
                           xFract="0.51238152"
                           y3="6.28654"
                           yFract="0.74485071"
                           z3="8.48795"
                           zFract="0.38199595"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.32217"
                           xFract="0.74907227"
                           y3="-0.02118"
                           yFract="-0.00250948"
                           z3="8.44807"
                           zFract="0.38020117"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13858"
                           xFract="0.25338626"
                           y3="2.1063"
                           yFract="0.24956161"
                           z3="6.3132"
                           zFract="0.28412241"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12845"
                           xFract="0.25218602"
                           y3="4.13764"
                           yFract="0.49024171"
                           z3="8.47827"
                           zFract="0.38156031"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12308"
                           xFract="0.25154976"
                           y3="6.33954"
                           yFract="0.75113033"
                           z3="6.18269"
                           zFract="0.27824887"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41033"
                           xFract="0.9964846"
                           y3="2.1177"
                           yFract="0.25091232"
                           z3="8.45194"
                           zFract="0.38037534"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.4067"
                           xFract="0.9960545"
                           y3="4.24075"
                           yFract="0.50245853"
                           z3="6.38594"
                           zFract="0.28739604"/>
                     <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="2.11681"
                           xFract="0.25080687"
                           y3="-0.00355"
                           yFract="-0.00042062"
                           z3="4.19665"
                           zFract="0.18886814"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23395"
                           xFract="0.50165284"
                           y3="4.21544"
                           yFract="0.49945972"
                           z3="6.4220"
                           zFract="0.2890189"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00714"
                           xFract="-0.00084597"
                           y3="6.3587"
                           yFract="0.75340047"
                           z3="4.19905"
                           zFract="0.18897615"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22229"
                           xFract="0.50027133"
                           y3="8.42129"
                           yFract="0.99778318"
                           z3="6.35793"
                           zFract="0.28613546"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32416"
                           xFract="0.74930806"
                           y3="8.41852"
                           yFract="0.99745498"
                           z3="4.22574"
                           zFract="0.19017732"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2609"
                           xFract="0.50484597"
                           y3="2.11835"
                           yFract="0.25098934"
                           z3="8.54775"
                           zFract="0.38468722"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11127"
                           xFract="0.25015047"
                           y3="4.21752"
                           yFract="0.49970616"
                           z3="4.23289"
                           zFract="0.1904991"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00203"
                           xFract="-0.00024052"
                           y3="-0.00641"
                           yFract="-0.00075948"
                           z3="6.36132"
                           zFract="0.28628803"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15357"
                           xFract="0.25516232"
                           y3="0.10741"
                           yFract="0.0127263"
                           z3="8.47859"
                           zFract="0.38157471"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30207"
                           xFract="0.74669076"
                           y3="2.11573"
                           yFract="0.25067891"
                           z3="6.34972"
                           zFract="0.28576598"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02651"
                           xFract="0.003141"
                           y3="2.1326"
                           yFract="0.25267773"
                           z3="6.35721"
                           zFract="0.28610306"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13889"
                           xFract="0.25342299"
                           y3="-0.04277"
                           yFract="-0.00506754"
                           z3="6.39517"
                           zFract="0.28781143"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42514"
                           xFract="0.99823934"
                           y3="0.06895"
                           yFract="0.00816943"
                           z3="4.24941"
                           zFract="0.19124257"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01718"
                           xFract="0.00203555"
                           y3="8.41029"
                           yFract="0.99647986"
                           z3="8.55095"
                           zFract="0.38483123"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11842"
                           xFract="0.25099763"
                           y3="2.18991"
                           yFract="0.25946801"
                           z3="4.23382"
                           zFract="0.19054095"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07995"
                           xFract="0.24643957"
                           y3="2.13256"
                           yFract="0.25267299"
                           z3="8.4975"
                           zFract="0.38242574"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20377"
                           xFract="0.49807701"
                           y3="2.13423"
                           yFract="0.25287085"
                           z3="6.31768"
                           zFract="0.28432403"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29644"
                           xFract="0.7460237"
                           y3="8.39322"
                           yFract="0.99445735"
                           z3="6.36518"
                           zFract="0.28646175"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2372"
                           xFract="0.50203791"
                           y3="0.01285"
                           yFract="0.00152251"
                           z3="4.18678"
                           zFract="0.18842394"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21435"
                           xFract="0.49933057"
                           y3="8.38896"
                           yFract="0.99395261"
                           z3="8.72087"
                           zFract="0.3924784"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32433"
                           xFract="0.7493282"
                           y3="2.24302"
                           yFract="0.26576066"
                           z3="4.19799"
                           zFract="0.18892844"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35048"
                           xFract="0.75242654"
                           y3="2.06016"
                           yFract="0.24409479"
                           z3="8.53066"
                           zFract="0.38391809"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03766"
                           xFract="0.00446209"
                           y3="6.3201"
                           yFract="0.74882701"
                           z3="6.35796"
                           zFract="0.28613681"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06493"
                           xFract="0.24465995"
                           y3="4.27177"
                           yFract="0.50613389"
                           z3="6.4504"
                           zFract="0.29029703"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33155"
                           xFract="0.98715047"
                           y3="4.18536"
                           yFract="0.49589573"
                           z3="4.3016"
                           zFract="0.19359136"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0092"
                           xFract="0.00109005"
                           y3="4.22005"
                           yFract="0.50000592"
                           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="2.22795"
                           xFract="0.26397512"
                           y3="6.23956"
                           yFract="0.73928436"
                           z3="4.1955"
                           zFract="0.18881638"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16388"
                           xFract="0.25638389"
                           y3="6.23421"
                           yFract="0.73865047"
                           z3="8.8968"
                           zFract="0.40039604"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16688"
                           xFract="0.49370616"
                           y3="6.28368"
                           yFract="0.74451185"
                           z3="6.44295"
                           zFract="0.28996175"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34681"
                           xFract="0.75199171"
                           y3="4.25013"
                           yFract="0.50356991"
                           z3="6.4427"
                           zFract="0.2899505"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31597"
                           xFract="0.51137085"
                           y3="4.18141"
                           yFract="0.49542773"
                           z3="4.1942"
                           zFract="0.18875788"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21608"
                           xFract="0.49953555"
                           y3="4.21363"
                           yFract="0.49924526"
                           z3="8.76087"
                           zFract="0.39427858"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23074"
                           xFract="0.73823934"
                           y3="6.17416"
                           yFract="0.73153555"
                           z3="4.29805"
                           zFract="0.19343159"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34489"
                           xFract="0.75176422"
                           y3="6.32918"
                           yFract="0.74990284"
                           z3="8.49459"
                           zFract="0.38229478"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.67">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04769"
                           xFract="0.2426173"
                           y3="6.34585"
                           yFract="0.75187796"
                           z3="9.8697"
                           zFract="0.44418092"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24553"
                           xFract="0.50302488"
                           y3="6.32119"
                           yFract="0.74895616"
                           z3="4.2362"
                           zFract="0.19064806"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.0922"
                           xFract="-0.01092417"
                           y3="6.29908"
                           yFract="0.74633649"
                           z3="8.46253"
                           zFract="0.38085194"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3149"
                           xFract="0.7482109"
                           y3="4.2202"
                           yFract="0.5000237"
                           z3="4.2284"
                           zFract="0.19029703"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32054"
                           xFract="0.74887915"
                           y3="6.29832"
                           yFract="0.74624645"
                           z3="6.34897"
                           zFract="0.28573222"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29644"
                           xFract="0.7460237"
                           y3="4.19949"
                           yFract="0.49756991"
                           z3="8.52269"
                           zFract="0.38355941"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43107"
                           xFract="0.99894194"
                           y3="2.13204"
                           yFract="0.25261137"
                           z3="4.23473"
                           zFract="0.19058191"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2284"
                           xFract="0.50099526"
                           y3="2.09974"
                           yFract="0.24878436"
                           z3="4.20516"
                           zFract="0.18925113"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32541"
                           xFract="0.51248934"
                           y3="6.28624"
                           yFract="0.74481517"
                           z3="8.48808"
                           zFract="0.3820018"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31928"
                           xFract="0.74872986"
                           y3="-0.01829"
                           yFract="-0.00216706"
                           z3="8.44726"
                           zFract="0.38016472"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1402"
                           xFract="0.2535782"
                           y3="2.10547"
                           yFract="0.24946327"
                           z3="6.31519"
                           zFract="0.28421197"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12898"
                           xFract="0.25224882"
                           y3="4.13369"
                           yFract="0.4897737"
                           z3="8.4776"
                           zFract="0.38153015"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1225"
                           xFract="0.25148104"
                           y3="6.34002"
                           yFract="0.7511872"
                           z3="6.1823"
                           zFract="0.27823132"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41036"
                           xFract="0.99648815"
                           y3="2.11797"
                           yFract="0.25094431"
                           z3="8.45216"
                           zFract="0.38038524"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40716"
                           xFract="0.996109"
                           y3="4.24234"
                           yFract="0.50264692"
                           z3="6.38881"
                           zFract="0.2875252"/>
                     <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="2.11818"
                           xFract="0.25096919"
                           y3="-0.00267"
                           yFract="-0.00031635"
                           z3="4.19808"
                           zFract="0.18893249"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2325"
                           xFract="0.50148104"
                           y3="4.21615"
                           yFract="0.49954384"
                           z3="6.42267"
                           zFract="0.28904905"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00785"
                           xFract="-0.00093009"
                           y3="6.35811"
                           yFract="0.75333057"
                           z3="4.19927"
                           zFract="0.18898605"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22061"
                           xFract="0.50007227"
                           y3="8.42131"
                           yFract="0.99778555"
                           z3="6.35819"
                           zFract="0.28614716"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32362"
                           xFract="0.74924408"
                           y3="8.41913"
                           yFract="0.99752725"
                           z3="4.2263"
                           zFract="0.19020252"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26221"
                           xFract="0.50500118"
                           y3="2.11774"
                           yFract="0.25091706"
                           z3="8.54803"
                           zFract="0.38469982"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11152"
                           xFract="0.25018009"
                           y3="4.21722"
                           yFract="0.49967062"
                           z3="4.2343"
                           zFract="0.19056256"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.00014"
                           xFract="0.00001659"
                           y3="-0.00711"
                           yFract="-0.00084242"
                           z3="6.36287"
                           zFract="0.28635779"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15169"
                           xFract="0.25493957"
                           y3="0.10821"
                           yFract="0.01282109"
                           z3="8.48029"
                           zFract="0.38165122"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30068"
                           xFract="0.74652607"
                           y3="2.11624"
                           yFract="0.25073934"
                           z3="6.35043"
                           zFract="0.28579793"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02676"
                           xFract="0.00317062"
                           y3="2.13318"
                           yFract="0.25274645"
                           z3="6.35765"
                           zFract="0.28612286"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13803"
                           xFract="0.25332109"
                           y3="-0.04403"
                           yFract="-0.00521682"
                           z3="6.39684"
                           zFract="0.28788659"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42781"
                           xFract="0.99855569"
                           y3="0.06787"
                           yFract="0.00804147"
                           z3="4.25029"
                           zFract="0.19128218"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01584"
                           xFract="0.00187678"
                           y3="8.40676"
                           yFract="0.99606161"
                           z3="8.55374"
                           zFract="0.3849568"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11765"
                           xFract="0.2509064"
                           y3="2.18969"
                           yFract="0.25944194"
                           z3="4.23533"
                           zFract="0.19060891"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07983"
                           xFract="0.24642536"
                           y3="2.13664"
                           yFract="0.2531564"
                           z3="8.50052"
                           zFract="0.38256166"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20477"
                           xFract="0.4981955"
                           y3="2.13338"
                           yFract="0.25277014"
                           z3="6.31794"
                           zFract="0.28433573"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29664"
                           xFract="0.74604739"
                           y3="8.39262"
                           yFract="0.99438626"
                           z3="6.36624"
                           zFract="0.28650945"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23517"
                           xFract="0.50179739"
                           y3="0.01333"
                           yFract="0.00157938"
                           z3="4.18833"
                           zFract="0.1884937"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21585"
                           xFract="0.49950829"
                           y3="8.3876"
                           yFract="0.99379147"
                           z3="8.72364"
                           zFract="0.39260306"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3247"
                           xFract="0.74937204"
                           y3="2.24146"
                           yFract="0.26557583"
                           z3="4.20036"
                           zFract="0.1890351"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34951"
                           xFract="0.75231161"
                           y3="2.05949"
                           yFract="0.2440154"
                           z3="8.53317"
                           zFract="0.38403105"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03747"
                           xFract="0.00443957"
                           y3="6.32003"
                           yFract="0.74881872"
                           z3="6.36245"
                           zFract="0.28633888"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06323"
                           xFract="0.24445853"
                           y3="4.27044"
                           yFract="0.5059763"
                           z3="6.4538"
                           zFract="0.29045005"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33075"
                           xFract="0.98705569"
                           y3="4.18684"
                           yFract="0.49607109"
                           z3="4.30145"
                           zFract="0.19358461"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00909"
                           xFract="0.00107701"
                           y3="4.22102"
                           yFract="0.50012085"
                           z3="8.52188"
                           zFract="0.38352295"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22855"
                           xFract="0.26404621"
                           y3="6.23869"
                           yFract="0.73918128"
                           z3="4.19503"
                           zFract="0.18879523"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16333"
                           xFract="0.25631872"
                           y3="6.23223"
                           yFract="0.73841588"
                           z3="8.90539"
                           zFract="0.40078263"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16889"
                           xFract="0.49394431"
                           y3="6.28279"
                           yFract="0.7444064"
                           z3="6.44457"
                           zFract="0.29003465"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34718"
                           xFract="0.75203555"
                           y3="4.2504"
                           yFract="0.5036019"
                           z3="6.44364"
                           zFract="0.2899928"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31799"
                           xFract="0.51161019"
                           y3="4.18154"
                           yFract="0.49544313"
                           z3="4.19363"
                           zFract="0.18873222"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21623"
                           xFract="0.49955332"
                           y3="4.21405"
                           yFract="0.49929502"
                           z3="8.76507"
                           zFract="0.3944676"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23101"
                           xFract="0.73827133"
                           y3="6.17381"
                           yFract="0.73149408"
                           z3="4.3000"
                           zFract="0.19351935"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34709"
                           xFract="0.75202488"
                           y3="6.33094"
                           yFract="0.75011137"
                           z3="8.49679"
                           zFract="0.38239379"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.68">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04686"
                           xFract="0.24251896"
                           y3="6.34704"
                           yFract="0.75201896"
                           z3="9.86522"
                           zFract="0.4439793"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24571"
                           xFract="0.50304621"
                           y3="6.3215"
                           yFract="0.74899289"
                           z3="4.23634"
                           zFract="0.19065437"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09216"
                           xFract="-0.01091943"
                           y3="6.29833"
                           yFract="0.74624763"
                           z3="8.46168"
                           zFract="0.38081368"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31539"
                           xFract="0.74826896"
                           y3="4.22001"
                           yFract="0.50000118"
                           z3="4.22715"
                           zFract="0.19024077"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32107"
                           xFract="0.74894194"
                           y3="6.29889"
                           yFract="0.74631398"
                           z3="6.34912"
                           zFract="0.28573897"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.2972"
                           xFract="0.74611374"
                           y3="4.20037"
                           yFract="0.49767417"
                           z3="8.52181"
                           zFract="0.3835198"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43168"
                           xFract="0.99901422"
                           y3="2.13212"
                           yFract="0.25262085"
                           z3="4.23307"
                           zFract="0.1905072"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2279"
                           xFract="0.50093602"
                           y3="2.09964"
                           yFract="0.24877251"
                           z3="4.20633"
                           zFract="0.18930378"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32503"
                           xFract="0.51244431"
                           y3="6.28636"
                           yFract="0.74482938"
                           z3="8.48802"
                           zFract="0.3819991"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3205"
                           xFract="0.74887441"
                           y3="-0.01951"
                           yFract="-0.00231161"
                           z3="8.4476"
                           zFract="0.38018002"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.13951"
                           xFract="0.25349645"
                           y3="2.10582"
                           yFract="0.24950474"
                           z3="6.31435"
                           zFract="0.28417417"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12876"
                           xFract="0.25222275"
                           y3="4.13536"
                           yFract="0.48997156"
                           z3="8.47788"
                           zFract="0.38154275"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12274"
                           xFract="0.25150948"
                           y3="6.33982"
                           yFract="0.75116351"
                           z3="6.18246"
                           zFract="0.27823852"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41035"
                           xFract="0.99648697"
                           y3="2.11786"
                           yFract="0.25093128"
                           z3="8.45207"
                           zFract="0.38038119"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40697"
                           xFract="0.99608649"
                           y3="4.24167"
                           yFract="0.50256754"
                           z3="6.3876"
                           zFract="0.28747075"/>
                     <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="2.1176"
                           xFract="0.25090047"
                           y3="-0.00304"
                           yFract="-0.00036019"
                           z3="4.19748"
                           zFract="0.18890549"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23311"
                           xFract="0.50155332"
                           y3="4.21585"
                           yFract="0.49950829"
                           z3="6.42239"
                           zFract="0.28903645"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00755"
                           xFract="-0.00089455"
                           y3="6.35836"
                           yFract="0.75336019"
                           z3="4.19918"
                           zFract="0.188982"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22132"
                           xFract="0.5001564"
                           y3="8.4213"
                           yFract="0.99778436"
                           z3="6.35808"
                           zFract="0.28614221"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32385"
                           xFract="0.74927133"
                           y3="8.41887"
                           yFract="0.99749645"
                           z3="4.22607"
                           zFract="0.19019217"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26166"
                           xFract="0.50493602"
                           y3="2.1180"
                           yFract="0.25094787"
                           z3="8.54791"
                           zFract="0.38469442"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11141"
                           xFract="0.25016706"
                           y3="4.21735"
                           yFract="0.49968602"
                           z3="4.23371"
                           zFract="0.190536"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00077"
                           xFract="-0.00009123"
                           y3="-0.00681"
                           yFract="-0.00080687"
                           z3="6.36221"
                           zFract="0.28632808"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15248"
                           xFract="0.25503318"
                           y3="0.10787"
                           yFract="0.01278081"
                           z3="8.47957"
                           zFract="0.38161881"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30126"
                           xFract="0.74659479"
                           y3="2.11602"
                           yFract="0.25071327"
                           z3="6.35014"
                           zFract="0.28578488"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02665"
                           xFract="0.00315758"
                           y3="2.13294"
                           yFract="0.25271801"
                           z3="6.35746"
                           zFract="0.28611431"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13839"
                           xFract="0.25336374"
                           y3="-0.0435"
                           yFract="-0.00515403"
                           z3="6.39614"
                           zFract="0.28785509"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42668"
                           xFract="0.9984218"
                           y3="0.06832"
                           yFract="0.00809479"
                           z3="4.24992"
                           zFract="0.19126553"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0164"
                           xFract="0.00194313"
                           y3="8.40824"
                           yFract="0.99623697"
                           z3="8.55257"
                           zFract="0.38490414"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11798"
                           xFract="0.2509455"
                           y3="2.18978"
                           yFract="0.25945261"
                           z3="4.2347"
                           zFract="0.19058056"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07988"
                           xFract="0.24643128"
                           y3="2.13492"
                           yFract="0.25295261"
                           z3="8.49924"
                           zFract="0.38250405"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20435"
                           xFract="0.49814573"
                           y3="2.13374"
                           yFract="0.2528128"
                           z3="6.31783"
                           zFract="0.28433078"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29656"
                           xFract="0.74603791"
                           y3="8.39287"
                           yFract="0.99441588"
                           z3="6.3658"
                           zFract="0.28648965"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23603"
                           xFract="0.50189929"
                           y3="0.01313"
                           yFract="0.00155569"
                           z3="4.18768"
                           zFract="0.18846445"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21522"
                           xFract="0.49943365"
                           y3="8.38817"
                           yFract="0.993859"
                           z3="8.72247"
                           zFract="0.39255041"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32454"
                           xFract="0.74935308"
                           y3="2.24212"
                           yFract="0.26565403"
                           z3="4.19936"
                           zFract="0.1889901"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34992"
                           xFract="0.75236019"
                           y3="2.05977"
                           yFract="0.24404858"
                           z3="8.53211"
                           zFract="0.38398335"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03755"
                           xFract="0.00444905"
                           y3="6.32006"
                           yFract="0.74882227"
                           z3="6.36056"
                           zFract="0.28625383"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06395"
                           xFract="0.24454384"
                           y3="4.2710"
                           yFract="0.50604265"
                           z3="6.45237"
                           zFract="0.29038569"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33109"
                           xFract="0.98709597"
                           y3="4.18622"
                           yFract="0.49599763"
                           z3="4.30151"
                           zFract="0.19358731"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00913"
                           xFract="0.00108175"
                           y3="4.22061"
                           yFract="0.50007227"
                           z3="8.52135"
                           zFract="0.3834991"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.2283"
                           xFract="0.26401659"
                           y3="6.23906"
                           yFract="0.73922512"
                           z3="4.19523"
                           zFract="0.18880423"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16357"
                           xFract="0.25634716"
                           y3="6.23306"
                           yFract="0.73851422"
                           z3="8.90177"
                           zFract="0.40061971"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16805"
                           xFract="0.49384479"
                           y3="6.28316"
                           yFract="0.74445024"
                           z3="6.44389"
                           zFract="0.29000405"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34702"
                           xFract="0.75201659"
                           y3="4.25028"
                           yFract="0.50358768"
                           z3="6.44325"
                           zFract="0.28997525"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31714"
                           xFract="0.51150948"
                           y3="4.18148"
                           yFract="0.49543602"
                           z3="4.19387"
                           zFract="0.18874302"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21617"
                           xFract="0.49954621"
                           y3="4.21387"
                           yFract="0.4992737"
                           z3="8.7633"
                           zFract="0.39438794"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23089"
                           xFract="0.73825711"
                           y3="6.17396"
                           yFract="0.73151185"
                           z3="4.29918"
                           zFract="0.19348245"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34616"
                           xFract="0.75191469"
                           y3="6.3302"
                           yFract="0.7500237"
                           z3="8.49586"
                           zFract="0.38235194"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.69">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04751"
                           xFract="0.24259597"
                           y3="6.34643"
                           yFract="0.75194668"
                           z3="9.86652"
                           zFract="0.4440378"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24581"
                           xFract="0.50305806"
                           y3="6.32139"
                           yFract="0.74897986"
                           z3="4.23587"
                           zFract="0.19063321"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09203"
                           xFract="-0.01090403"
                           y3="6.29853"
                           yFract="0.74627133"
                           z3="8.46249"
                           zFract="0.38085014"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31563"
                           xFract="0.74829739"
                           y3="4.21977"
                           yFract="0.49997275"
                           z3="4.22787"
                           zFract="0.19027318"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32084"
                           xFract="0.74891469"
                           y3="6.29887"
                           yFract="0.74631161"
                           z3="6.34938"
                           zFract="0.28575068"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29682"
                           xFract="0.74606872"
                           y3="4.19997"
                           yFract="0.49762678"
                           z3="8.52242"
                           zFract="0.38354725"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43133"
                           xFract="0.99897275"
                           y3="2.13204"
                           yFract="0.25261137"
                           z3="4.23416"
                           zFract="0.19055626"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22804"
                           xFract="0.50095261"
                           y3="2.09952"
                           yFract="0.24875829"
                           z3="4.20539"
                           zFract="0.18926148"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32529"
                           xFract="0.51247512"
                           y3="6.28591"
                           yFract="0.74477607"
                           z3="8.4883"
                           zFract="0.3820117"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31929"
                           xFract="0.74873104"
                           y3="-0.01898"
                           yFract="-0.00224882"
                           z3="8.44766"
                           zFract="0.38018272"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14016"
                           xFract="0.25357346"
                           y3="2.10569"
                           yFract="0.24948934"
                           z3="6.31461"
                           zFract="0.28418587"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1292"
                           xFract="0.25227488"
                           y3="4.13571"
                           yFract="0.49001303"
                           z3="8.47842"
                           zFract="0.38156706"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12272"
                           xFract="0.25150711"
                           y3="6.33953"
                           yFract="0.75112915"
                           z3="6.18243"
                           zFract="0.27823717"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.41009"
                           xFract="0.99645616"
                           y3="2.11831"
                           yFract="0.2509846"
                           z3="8.45207"
                           zFract="0.38038119"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40698"
                           xFract="0.99608768"
                           y3="4.24228"
                           yFract="0.50263981"
                           z3="6.38848"
                           zFract="0.28751035"/>
                     <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="2.11792"
                           xFract="0.25093839"
                           y3="-0.00269"
                           yFract="-0.00031872"
                           z3="4.19769"
                           zFract="0.18891494"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23266"
                           xFract="0.5015"
                           y3="4.2159"
                           yFract="0.49951422"
                           z3="6.42212"
                           zFract="0.2890243"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00798"
                           xFract="-0.0009455"
                           y3="6.35811"
                           yFract="0.75333057"
                           z3="4.19918"
                           zFract="0.188982"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22105"
                           xFract="0.50012441"
                           y3="8.4211"
                           yFract="0.99776066"
                           z3="6.35785"
                           zFract="0.28613186"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32371"
                           xFract="0.74925474"
                           y3="8.41914"
                           yFract="0.99752844"
                           z3="4.2266"
                           zFract="0.19021602"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26218"
                           xFract="0.50499763"
                           y3="2.11793"
                           yFract="0.25093957"
                           z3="8.54797"
                           zFract="0.38469712"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1113"
                           xFract="0.25015403"
                           y3="4.2169"
                           yFract="0.4996327"
                           z3="4.23416"
                           zFract="0.19055626"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00053"
                           xFract="-0.0000628"
                           y3="-0.00722"
                           yFract="-0.00085545"
                           z3="6.36296"
                           zFract="0.28636184"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15203"
                           xFract="0.25497986"
                           y3="0.10873"
                           yFract="0.0128827"
                           z3="8.48051"
                           zFract="0.38166112"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30095"
                           xFract="0.74655806"
                           y3="2.11623"
                           yFract="0.25073815"
                           z3="6.35042"
                           zFract="0.28579748"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02681"
                           xFract="0.00317654"
                           y3="2.13288"
                           yFract="0.2527109"
                           z3="6.35799"
                           zFract="0.28613816"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13827"
                           xFract="0.25334953"
                           y3="-0.0436"
                           yFract="-0.00516588"
                           z3="6.39709"
                           zFract="0.28789784"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42742"
                           xFract="0.99850948"
                           y3="0.06761"
                           yFract="0.00801066"
                           z3="4.25052"
                           zFract="0.19129253"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01674"
                           xFract="0.00198341"
                           y3="8.40772"
                           yFract="0.99617536"
                           z3="8.55336"
                           zFract="0.38493969"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11761"
                           xFract="0.25090166"
                           y3="2.18974"
                           yFract="0.25944787"
                           z3="4.23515"
                           zFract="0.19060081"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07975"
                           xFract="0.24641588"
                           y3="2.13425"
                           yFract="0.25287322"
                           z3="8.49967"
                           zFract="0.3825234"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20453"
                           xFract="0.49816706"
                           y3="2.13376"
                           yFract="0.25281517"
                           z3="6.31776"
                           zFract="0.28432763"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29657"
                           xFract="0.7460391"
                           y3="8.39292"
                           yFract="0.9944218"
                           z3="6.36613"
                           zFract="0.2865045"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23523"
                           xFract="0.5018045"
                           y3="0.01342"
                           yFract="0.00159005"
                           z3="4.18796"
                           zFract="0.18847705"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21456"
                           xFract="0.49935545"
                           y3="8.38798"
                           yFract="0.99383649"
                           z3="8.72322"
                           zFract="0.39258416"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32475"
                           xFract="0.74937796"
                           y3="2.24156"
                           yFract="0.26558768"
                           z3="4.19999"
                           zFract="0.18901845"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35007"
                           xFract="0.75237796"
                           y3="2.05948"
                           yFract="0.24401422"
                           z3="8.53322"
                           zFract="0.3840333"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03767"
                           xFract="0.00446327"
                           y3="6.32023"
                           yFract="0.74884242"
                           z3="6.36189"
                           zFract="0.28631368"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0639"
                           xFract="0.24453791"
                           y3="4.27083"
                           yFract="0.50602251"
                           z3="6.45254"
                           zFract="0.29039334"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3308"
                           xFract="0.98706161"
                           y3="4.18681"
                           yFract="0.49606754"
                           z3="4.30178"
                           zFract="0.19359946"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00846"
                           xFract="0.00100237"
                           y3="4.22068"
                           yFract="0.50008057"
                           z3="8.52124"
                           zFract="0.38349415"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22825"
                           xFract="0.26401066"
                           y3="6.23869"
                           yFract="0.73918128"
                           z3="4.19542"
                           zFract="0.18881278"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16345"
                           xFract="0.25633294"
                           y3="6.23199"
                           yFract="0.73838744"
                           z3="8.90588"
                           zFract="0.40080468"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16835"
                           xFract="0.49388033"
                           y3="6.28269"
                           yFract="0.74439455"
                           z3="6.44395"
                           zFract="0.29000675"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34707"
                           xFract="0.75202251"
                           y3="4.25012"
                           yFract="0.50356872"
                           z3="6.44346"
                           zFract="0.2899847"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31738"
                           xFract="0.51153791"
                           y3="4.18152"
                           yFract="0.49544076"
                           z3="4.1934"
                           zFract="0.18872187"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21689"
                           xFract="0.49963152"
                           y3="4.21353"
                           yFract="0.49923341"
                           z3="8.76453"
                           zFract="0.39444329"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23061"
                           xFract="0.73822393"
                           y3="6.17444"
                           yFract="0.73156872"
                           z3="4.29952"
                           zFract="0.19349775"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34624"
                           xFract="0.75192417"
                           y3="6.33071"
                           yFract="0.75008412"
                           z3="8.49629"
                           zFract="0.38237129"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.70">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04814"
                           xFract="0.24267062"
                           y3="6.34585"
                           yFract="0.75187796"
                           z3="9.86776"
                           zFract="0.44409361"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2459"
                           xFract="0.50306872"
                           y3="6.32129"
                           yFract="0.74896801"
                           z3="4.23542"
                           zFract="0.19061296"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09191"
                           xFract="-0.01088981"
                           y3="6.29872"
                           yFract="0.74629384"
                           z3="8.46326"
                           zFract="0.38088479"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31585"
                           xFract="0.74832346"
                           y3="4.21954"
                           yFract="0.4999455"
                           z3="4.22856"
                           zFract="0.19030423"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32063"
                           xFract="0.74888981"
                           y3="6.29886"
                           yFract="0.74631043"
                           z3="6.34962"
                           zFract="0.28576148"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29645"
                           xFract="0.74602488"
                           y3="4.1996"
                           yFract="0.49758294"
                           z3="8.52301"
                           zFract="0.38357381"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43099"
                           xFract="0.99893246"
                           y3="2.13197"
                           yFract="0.25260308"
                           z3="4.2352"
                           zFract="0.19060306"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22818"
                           xFract="0.50096919"
                           y3="2.09941"
                           yFract="0.24874526"
                           z3="4.20449"
                           zFract="0.18922097"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32554"
                           xFract="0.51250474"
                           y3="6.28548"
                           yFract="0.74472512"
                           z3="8.48856"
                           zFract="0.3820234"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31814"
                           xFract="0.74859479"
                           y3="-0.01848"
                           yFract="-0.00218957"
                           z3="8.44771"
                           zFract="0.38018497"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14077"
                           xFract="0.25364573"
                           y3="2.10556"
                           yFract="0.24947393"
                           z3="6.31485"
                           zFract="0.28419667"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12962"
                           xFract="0.25232464"
                           y3="4.13605"
                           yFract="0.49005332"
                           z3="8.47894"
                           zFract="0.38159046"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1227"
                           xFract="0.25150474"
                           y3="6.33925"
                           yFract="0.75109597"
                           z3="6.1824"
                           zFract="0.27823582"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40984"
                           xFract="0.99642654"
                           y3="2.11874"
                           yFract="0.25103555"
                           z3="8.45208"
                           zFract="0.38038164"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40699"
                           xFract="0.99608886"
                           y3="4.24286"
                           yFract="0.50270853"
                           z3="6.38932"
                           zFract="0.28754815"/>
                     <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="2.11823"
                           xFract="0.25097512"
                           y3="-0.00236"
                           yFract="-0.00027962"
                           z3="4.1979"
                           zFract="0.18892439"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23224"
                           xFract="0.50145024"
                           y3="4.21595"
                           yFract="0.49952014"
                           z3="6.42186"
                           zFract="0.2890126"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00839"
                           xFract="-0.00099408"
                           y3="6.35788"
                           yFract="0.75330332"
                           z3="4.19917"
                           zFract="0.18898155"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2208"
                           xFract="0.50009479"
                           y3="8.4209"
                           yFract="0.99773697"
                           z3="6.35762"
                           zFract="0.28612151"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32358"
                           xFract="0.74923934"
                           y3="8.41939"
                           yFract="0.99755806"
                           z3="4.22711"
                           zFract="0.19023897"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26268"
                           xFract="0.50505687"
                           y3="2.11786"
                           yFract="0.25093128"
                           z3="8.54803"
                           zFract="0.38469982"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11119"
                           xFract="0.250141"
                           y3="4.21648"
                           yFract="0.49958294"
                           z3="4.23458"
                           zFract="0.19057516"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.0003"
                           xFract="-0.00003555"
                           y3="-0.00761"
                           yFract="-0.00090166"
                           z3="6.36367"
                           zFract="0.28639379"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15161"
                           xFract="0.25493009"
                           y3="0.10954"
                           yFract="0.01297867"
                           z3="8.4814"
                           zFract="0.38170117"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30064"
                           xFract="0.74652133"
                           y3="2.11643"
                           yFract="0.25076185"
                           z3="6.3507"
                           zFract="0.28581008"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02697"
                           xFract="0.0031955"
                           y3="2.13284"
                           yFract="0.25270616"
                           z3="6.35849"
                           zFract="0.28616067"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13815"
                           xFract="0.25333531"
                           y3="-0.04369"
                           yFract="-0.00517654"
                           z3="6.3980"
                           zFract="0.28793879"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42812"
                           xFract="0.99859242"
                           y3="0.06692"
                           yFract="0.00792891"
                           z3="4.2511"
                           zFract="0.19131863"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01707"
                           xFract="0.00202251"
                           y3="8.40723"
                           yFract="0.9961173"
                           z3="8.55412"
                           zFract="0.3849739"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11726"
                           xFract="0.25086019"
                           y3="2.18971"
                           yFract="0.25944431"
                           z3="4.23558"
                           zFract="0.19062016"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07962"
                           xFract="0.24640047"
                           y3="2.1336"
                           yFract="0.25279621"
                           z3="8.50008"
                           zFract="0.38254185"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20471"
                           xFract="0.49818839"
                           y3="2.13378"
                           yFract="0.25281754"
                           z3="6.3177"
                           zFract="0.28432493"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29658"
                           xFract="0.74604028"
                           y3="8.39296"
                           yFract="0.99442654"
                           z3="6.36645"
                           zFract="0.2865189"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23447"
                           xFract="0.50171445"
                           y3="0.0137"
                           yFract="0.00162322"
                           z3="4.18823"
                           zFract="0.1884892"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21394"
                           xFract="0.49928199"
                           y3="8.3878"
                           yFract="0.99381517"
                           z3="8.72393"
                           zFract="0.39261611"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32495"
                           xFract="0.74940166"
                           y3="2.24103"
                           yFract="0.26552488"
                           z3="4.20059"
                           zFract="0.18904545"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35022"
                           xFract="0.75239573"
                           y3="2.0592"
                           yFract="0.24398104"
                           z3="8.53428"
                           zFract="0.38408101"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03779"
                           xFract="0.00447749"
                           y3="6.32039"
                           yFract="0.74886137"
                           z3="6.36317"
                           zFract="0.28637129"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06386"
                           xFract="0.24453318"
                           y3="4.27067"
                           yFract="0.50600355"
                           z3="6.45271"
                           zFract="0.29040099"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33052"
                           xFract="0.98702844"
                           y3="4.18737"
                           yFract="0.49613389"
                           z3="4.30204"
                           zFract="0.19361116"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00781"
                           xFract="0.00092536"
                           y3="4.22074"
                           yFract="0.50008768"
                           z3="8.52114"
                           zFract="0.38348965"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22821"
                           xFract="0.26400592"
                           y3="6.23835"
                           yFract="0.739141"
                           z3="4.19561"
                           zFract="0.18882133"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16335"
                           xFract="0.25632109"
                           y3="6.23096"
                           yFract="0.7382654"
                           z3="8.9098"
                           zFract="0.4009811"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16864"
                           xFract="0.49391469"
                           y3="6.28225"
                           yFract="0.74434242"
                           z3="6.44401"
                           zFract="0.29000945"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34712"
                           xFract="0.75202844"
                           y3="4.24996"
                           yFract="0.50354976"
                           z3="6.44367"
                           zFract="0.28999415"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31761"
                           xFract="0.51156517"
                           y3="4.18155"
                           yFract="0.49544431"
                           z3="4.19294"
                           zFract="0.18870117"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21758"
                           xFract="0.49971327"
                           y3="4.2132"
                           yFract="0.49919431"
                           z3="8.76571"
                           zFract="0.3944964"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23033"
                           xFract="0.73819076"
                           y3="6.17489"
                           yFract="0.73162204"
                           z3="4.29985"
                           zFract="0.1935126"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34631"
                           xFract="0.75193246"
                           y3="6.3312"
                           yFract="0.75014218"
                           z3="8.4967"
                           zFract="0.38238974"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.71">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04831"
                           xFract="0.24269076"
                           y3="6.34574"
                           yFract="0.75186493"
                           z3="9.8690"
                           zFract="0.44414941"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24593"
                           xFract="0.50307227"
                           y3="6.32126"
                           yFract="0.74896445"
                           z3="4.23522"
                           zFract="0.19060396"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09183"
                           xFract="-0.01088033"
                           y3="6.29876"
                           yFract="0.74629858"
                           z3="8.46363"
                           zFract="0.38090144"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31601"
                           xFract="0.74834242"
                           y3="4.21942"
                           yFract="0.49993128"
                           z3="4.22879"
                           zFract="0.19031458"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32056"
                           xFract="0.74888152"
                           y3="6.29891"
                           yFract="0.74631635"
                           z3="6.34979"
                           zFract="0.28576913"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29635"
                           xFract="0.74601303"
                           y3="4.19949"
                           yFract="0.49756991"
                           z3="8.52324"
                           zFract="0.38358416"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43088"
                           xFract="0.99891943"
                           y3="2.13193"
                           yFract="0.25259834"
                           z3="4.2356"
                           zFract="0.19062106"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2282"
                           xFract="0.50097156"
                           y3="2.09935"
                           yFract="0.24873815"
                           z3="4.20413"
                           zFract="0.18920477"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32563"
                           xFract="0.5125154"
                           y3="6.28527"
                           yFract="0.74470024"
                           z3="8.48873"
                           zFract="0.38203105"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31764"
                           xFract="0.74853555"
                           y3="-0.01834"
                           yFract="-0.00217299"
                           z3="8.44778"
                           zFract="0.38018812"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14102"
                           xFract="0.25367536"
                           y3="2.10551"
                           yFract="0.24946801"
                           z3="6.31493"
                           zFract="0.28420027"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12981"
                           xFract="0.25234716"
                           y3="4.13634"
                           yFract="0.49008768"
                           z3="8.47927"
                           zFract="0.38160531"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12272"
                           xFract="0.25150711"
                           y3="6.33912"
                           yFract="0.75108057"
                           z3="6.18238"
                           zFract="0.27823492"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40971"
                           xFract="0.99641114"
                           y3="2.11895"
                           yFract="0.25106043"
                           z3="8.45209"
                           zFract="0.38038209"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40697"
                           xFract="0.99608649"
                           y3="4.24309"
                           yFract="0.50273578"
                           z3="6.38966"
                           zFract="0.28756346"/>
                     <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="2.11833"
                           xFract="0.25098697"
                           y3="-0.00222"
                           yFract="-0.00026303"
                           z3="4.19797"
                           zFract="0.18892754"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23208"
                           xFract="0.50143128"
                           y3="4.21594"
                           yFract="0.49951896"
                           z3="6.42168"
                           zFract="0.2890045"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00859"
                           xFract="-0.00101777"
                           y3="6.35778"
                           yFract="0.75329147"
                           z3="4.19917"
                           zFract="0.18898155"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22072"
                           xFract="0.50008531"
                           y3="8.42079"
                           yFract="0.99772393"
                           z3="6.35749"
                           zFract="0.28611566"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32353"
                           xFract="0.74923341"
                           y3="8.4195"
                           yFract="0.99757109"
                           z3="4.22736"
                           zFract="0.19025023"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26288"
                           xFract="0.50508057"
                           y3="2.11785"
                           yFract="0.25093009"
                           z3="8.54807"
                           zFract="0.38470162"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11112"
                           xFract="0.2501327"
                           y3="4.21627"
                           yFract="0.49955806"
                           z3="4.23473"
                           zFract="0.19058191"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00025"
                           xFract="-0.00002962"
                           y3="-0.00779"
                           yFract="-0.00092299"
                           z3="6.36402"
                           zFract="0.28640954"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15145"
                           xFract="0.25491114"
                           y3="0.10989"
                           yFract="0.01302014"
                           z3="8.48186"
                           zFract="0.38172187"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30054"
                           xFract="0.74650948"
                           y3="2.11652"
                           yFract="0.25077251"
                           z3="6.35083"
                           zFract="0.28581593"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02703"
                           xFract="0.00320261"
                           y3="2.1328"
                           yFract="0.25270142"
                           z3="6.35875"
                           zFract="0.28617237"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13813"
                           xFract="0.25333294"
                           y3="-0.04372"
                           yFract="-0.00518009"
                           z3="6.39847"
                           zFract="0.28795995"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42843"
                           xFract="0.99862915"
                           y3="0.06657"
                           yFract="0.00788744"
                           z3="4.25138"
                           zFract="0.19133123"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01727"
                           xFract="0.00204621"
                           y3="8.40706"
                           yFract="0.99609716"
                           z3="8.55445"
                           zFract="0.38498875"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11708"
                           xFract="0.25083886"
                           y3="2.1897"
                           yFract="0.25944313"
                           z3="4.23576"
                           zFract="0.19062826"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07956"
                           xFract="0.24639336"
                           y3="2.13323"
                           yFract="0.25275237"
                           z3="8.5002"
                           zFract="0.38254725"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20477"
                           xFract="0.4981955"
                           y3="2.13383"
                           yFract="0.25282346"
                           z3="6.31764"
                           zFract="0.28432223"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29657"
                           xFract="0.7460391"
                           y3="8.39301"
                           yFract="0.99443246"
                           z3="6.36659"
                           zFract="0.2865252"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23412"
                           xFract="0.50167299"
                           y3="0.01383"
                           yFract="0.00163863"
                           z3="4.18831"
                           zFract="0.1884928"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21354"
                           xFract="0.4992346"
                           y3="8.38772"
                           yFract="0.99380569"
                           z3="8.72424"
                           zFract="0.39263006"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32505"
                           xFract="0.74941351"
                           y3="2.24078"
                           yFract="0.26549526"
                           z3="4.20084"
                           zFract="0.18905671"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35032"
                           xFract="0.75240758"
                           y3="2.05905"
                           yFract="0.24396327"
                           z3="8.53479"
                           zFract="0.38410396"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03786"
                           xFract="0.00448578"
                           y3="6.32047"
                           yFract="0.74887085"
                           z3="6.36374"
                           zFract="0.28639694"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0639"
                           xFract="0.24453791"
                           y3="4.27062"
                           yFract="0.50599763"
                           z3="6.45273"
                           zFract="0.29040189"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3304"
                           xFract="0.98701422"
                           y3="4.18764"
                           yFract="0.49616588"
                           z3="4.30223"
                           zFract="0.19361971"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00746"
                           xFract="0.00088389"
                           y3="4.22074"
                           yFract="0.50008768"
                           z3="8.52104"
                           zFract="0.38348515"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22817"
                           xFract="0.26400118"
                           y3="6.23818"
                           yFract="0.73912085"
                           z3="4.1957"
                           zFract="0.18882538"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16343"
                           xFract="0.25633057"
                           y3="6.23033"
                           yFract="0.73819076"
                           z3="8.9108"
                           zFract="0.4010261"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16871"
                           xFract="0.49392299"
                           y3="6.28201"
                           yFract="0.74431398"
                           z3="6.44401"
                           zFract="0.29000945"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34712"
                           xFract="0.75202844"
                           y3="4.24987"
                           yFract="0.5035391"
                           z3="6.44376"
                           zFract="0.2899982"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31769"
                           xFract="0.51157464"
                           y3="4.18155"
                           yFract="0.49544431"
                           z3="4.1927"
                           zFract="0.18869037"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21794"
                           xFract="0.49975592"
                           y3="4.2130"
                           yFract="0.49917062"
                           z3="8.76622"
                           zFract="0.39451935"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.23018"
                           xFract="0.73817299"
                           y3="6.17515"
                           yFract="0.73165284"
                           z3="4.29998"
                           zFract="0.19351845"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34627"
                           xFract="0.75192773"
                           y3="6.3314"
                           yFract="0.75016588"
                           z3="8.49684"
                           zFract="0.38239604"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.72">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04882"
                           xFract="0.24275118"
                           y3="6.3454"
                           yFract="0.75182464"
                           z3="9.87273"
                           zFract="0.44431728"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24601"
                           xFract="0.50308175"
                           y3="6.32117"
                           yFract="0.74895379"
                           z3="4.23461"
                           zFract="0.19057651"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.0916"
                           xFract="-0.01085308"
                           y3="6.29887"
                           yFract="0.74631161"
                           z3="8.46474"
                           zFract="0.3809514"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31647"
                           xFract="0.74839692"
                           y3="4.21908"
                           yFract="0.499891"
                           z3="4.22946"
                           zFract="0.19034473"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32037"
                           xFract="0.748859"
                           y3="6.29905"
                           yFract="0.74633294"
                           z3="6.3503"
                           zFract="0.28579208"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29603"
                           xFract="0.74597512"
                           y3="4.19918"
                           yFract="0.49753318"
                           z3="8.52394"
                           zFract="0.38361566"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43054"
                           xFract="0.99887915"
                           y3="2.13183"
                           yFract="0.25258649"
                           z3="4.23679"
                           zFract="0.19067462"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22828"
                           xFract="0.50098104"
                           y3="2.09919"
                           yFract="0.24871919"
                           z3="4.20308"
                           zFract="0.18915752"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32587"
                           xFract="0.51254384"
                           y3="6.28463"
                           yFract="0.74462441"
                           z3="8.48925"
                           zFract="0.38205446"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31614"
                           xFract="0.74835782"
                           y3="-0.0179"
                           yFract="-0.00212085"
                           z3="8.44801"
                           zFract="0.38019847"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14176"
                           xFract="0.25376303"
                           y3="2.10536"
                           yFract="0.24945024"
                           z3="6.31517"
                           zFract="0.28421107"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1304"
                           xFract="0.25241706"
                           y3="4.13721"
                           yFract="0.49019076"
                           z3="8.48028"
                           zFract="0.38165077"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12277"
                           xFract="0.25151303"
                           y3="6.3387"
                           yFract="0.75103081"
                           z3="6.18234"
                           zFract="0.27823312"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40932"
                           xFract="0.99636493"
                           y3="2.11958"
                           yFract="0.25113507"
                           z3="8.45211"
                           zFract="0.38038299"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40691"
                           xFract="0.99607938"
                           y3="4.2438"
                           yFract="0.50281991"
                           z3="6.39068"
                           zFract="0.28760936"/>
                     <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="2.11862"
                           xFract="0.25102133"
                           y3="-0.0018"
                           yFract="-0.00021327"
                           z3="4.19817"
                           zFract="0.18893654"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2316"
                           xFract="0.50137441"
                           y3="4.21591"
                           yFract="0.4995154"
                           z3="6.42116"
                           zFract="0.2889811"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00919"
                           xFract="-0.00108886"
                           y3="6.35749"
                           yFract="0.75325711"
                           z3="4.19915"
                           zFract="0.18898065"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22049"
                           xFract="0.50005806"
                           y3="8.42045"
                           yFract="0.99768365"
                           z3="6.35711"
                           zFract="0.28609856"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32341"
                           xFract="0.74921919"
                           y3="8.41984"
                           yFract="0.99761137"
                           z3="4.22811"
                           zFract="0.19028398"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26349"
                           xFract="0.50515284"
                           y3="2.11781"
                           yFract="0.25092536"
                           z3="8.54818"
                           zFract="0.38470657"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1109"
                           xFract="0.25010664"
                           y3="4.21567"
                           yFract="0.49948697"
                           z3="4.23519"
                           zFract="0.19060261"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.0001"
                           xFract="-0.00001185"
                           y3="-0.00832"
                           yFract="-0.00098578"
                           z3="6.36507"
                           zFract="0.2864568"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15097"
                           xFract="0.25485427"
                           y3="0.11095"
                           yFract="0.01314573"
                           z3="8.48323"
                           zFract="0.38178353"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30024"
                           xFract="0.74647393"
                           y3="2.11679"
                           yFract="0.2508045"
                           z3="6.35123"
                           zFract="0.28583393"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02723"
                           xFract="0.0032263"
                           y3="2.13268"
                           yFract="0.2526872"
                           z3="6.35951"
                           zFract="0.28620657"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13807"
                           xFract="0.25332583"
                           y3="-0.04381"
                           yFract="-0.00519076"
                           z3="6.39986"
                           zFract="0.2880225"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42936"
                           xFract="0.99873934"
                           y3="0.06552"
                           yFract="0.00776303"
                           z3="4.25223"
                           zFract="0.19136949"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01788"
                           xFract="0.00211848"
                           y3="8.40657"
                           yFract="0.9960391"
                           z3="8.55544"
                           zFract="0.3850333"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11654"
                           xFract="0.25077488"
                           y3="2.18968"
                           yFract="0.25944076"
                           z3="4.23632"
                           zFract="0.19065347"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07939"
                           xFract="0.24637322"
                           y3="2.13212"
                           yFract="0.25262085"
                           z3="8.50056"
                           zFract="0.38256346"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20496"
                           xFract="0.49821801"
                           y3="2.13399"
                           yFract="0.25284242"
                           z3="6.31747"
                           zFract="0.28431458"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29653"
                           xFract="0.74603436"
                           y3="8.39317"
                           yFract="0.99445142"
                           z3="6.3670"
                           zFract="0.28654365"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23307"
                           xFract="0.50154858"
                           y3="0.01425"
                           yFract="0.00168839"
                           z3="4.18856"
                           zFract="0.18850405"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21234"
                           xFract="0.49909242"
                           y3="8.38748"
                           yFract="0.99377725"
                           z3="8.72515"
                           zFract="0.39267102"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32536"
                           xFract="0.74945024"
                           y3="2.24004"
                           yFract="0.26540758"
                           z3="4.2016"
                           zFract="0.18909091"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35063"
                           xFract="0.75244431"
                           y3="2.05863"
                           yFract="0.24391351"
                           z3="8.5363"
                           zFract="0.38417192"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03808"
                           xFract="0.00451185"
                           y3="6.32072"
                           yFract="0.74890047"
                           z3="6.36546"
                           zFract="0.28647435"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0640"
                           xFract="0.24454976"
                           y3="4.27049"
                           yFract="0.50598223"
                           z3="6.4528"
                           zFract="0.29040504"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33002"
                           xFract="0.98696919"
                           y3="4.18845"
                           yFract="0.49626185"
                           z3="4.30281"
                           zFract="0.19364581"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00643"
                           xFract="0.00076185"
                           y3="4.22075"
                           yFract="0.50008886"
                           z3="8.52076"
                           zFract="0.38347255"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22804"
                           xFract="0.26398578"
                           y3="6.23765"
                           yFract="0.73905806"
                           z3="4.19597"
                           zFract="0.18883753"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16367"
                           xFract="0.256359"
                           y3="6.22842"
                           yFract="0.73796445"
                           z3="8.91381"
                           zFract="0.40116157"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16895"
                           xFract="0.49395142"
                           y3="6.28132"
                           yFract="0.74423223"
                           z3="6.44399"
                           zFract="0.29000855"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34712"
                           xFract="0.75202844"
                           y3="4.24957"
                           yFract="0.50350355"
                           z3="6.44403"
                           zFract="0.29001035"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31793"
                           xFract="0.51160308"
                           y3="4.18155"
                           yFract="0.49544431"
                           z3="4.19197"
                           zFract="0.18865752"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21901"
                           xFract="0.4998827"
                           y3="4.21239"
                           yFract="0.49909834"
                           z3="8.76776"
                           zFract="0.39458866"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22974"
                           xFract="0.73812085"
                           y3="6.1759"
                           yFract="0.73174171"
                           z3="4.30036"
                           zFract="0.19353555"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34615"
                           xFract="0.75191351"
                           y3="6.33203"
                           yFract="0.75024052"
                           z3="8.49728"
                           zFract="0.38241584"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.73">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04986"
                           xFract="0.24287441"
                           y3="6.34473"
                           yFract="0.75174526"
                           z3="9.88018"
                           zFract="0.44465257"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24619"
                           xFract="0.50310308"
                           y3="6.3210"
                           yFract="0.74893365"
                           z3="4.23338"
                           zFract="0.19052115"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09115"
                           xFract="-0.01079976"
                           y3="6.2991"
                           yFract="0.74633886"
                           z3="8.46697"
                           zFract="0.38105176"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31739"
                           xFract="0.74850592"
                           y3="4.21838"
                           yFract="0.49980806"
                           z3="4.2308"
                           zFract="0.19040504"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.31999"
                           xFract="0.74881398"
                           y3="6.29934"
                           yFract="0.7463673"
                           z3="6.35131"
                           zFract="0.28583753"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29539"
                           xFract="0.74589929"
                           y3="4.19854"
                           yFract="0.49745735"
                           z3="8.52535"
                           zFract="0.38367912"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.42986"
                           xFract="0.99879858"
                           y3="2.13163"
                           yFract="0.2525628"
                           z3="4.23917"
                           zFract="0.19078173"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22843"
                           xFract="0.50099882"
                           y3="2.09885"
                           yFract="0.24867891"
                           z3="4.20098"
                           zFract="0.18906301"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32637"
                           xFract="0.51260308"
                           y3="6.28337"
                           yFract="0.74447512"
                           z3="8.49027"
                           zFract="0.38210036"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31315"
                           xFract="0.74800355"
                           y3="-0.01704"
                           yFract="-0.00201896"
                           z3="8.44846"
                           zFract="0.38021872"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14326"
                           xFract="0.25394076"
                           y3="2.10507"
                           yFract="0.24941588"
                           z3="6.31564"
                           zFract="0.28423222"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13159"
                           xFract="0.25255806"
                           y3="4.13894"
                           yFract="0.49039573"
                           z3="8.48229"
                           zFract="0.38174122"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12287"
                           xFract="0.25152488"
                           y3="6.33788"
                           yFract="0.75093365"
                           z3="6.18225"
                           zFract="0.27822907"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40854"
                           xFract="0.99627251"
                           y3="2.12083"
                           yFract="0.25128318"
                           z3="8.45217"
                           zFract="0.38038569"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.4068"
                           xFract="0.99606635"
                           y3="4.24521"
                           yFract="0.50298697"
                           z3="6.39273"
                           zFract="0.28770162"/>
                     <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="2.11921"
                           xFract="0.25109123"
                           y3="-0.00095"
                           yFract="-0.00011256"
                           z3="4.19857"
                           zFract="0.18895455"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23065"
                           xFract="0.50126185"
                           y3="4.21585"
                           yFract="0.49950829"
                           z3="6.42011"
                           zFract="0.28893384"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01037"
                           xFract="-0.00122867"
                           y3="6.35691"
                           yFract="0.75318839"
                           z3="4.19911"
                           zFract="0.18897885"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22003"
                           xFract="0.50000355"
                           y3="8.41978"
                           yFract="0.99760427"
                           z3="6.35636"
                           zFract="0.28606481"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32315"
                           xFract="0.74918839"
                           y3="8.4205"
                           yFract="0.99768957"
                           z3="4.22962"
                           zFract="0.19035194"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2647"
                           xFract="0.50529621"
                           y3="2.11772"
                           yFract="0.25091469"
                           z3="8.54842"
                           zFract="0.38471737"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11046"
                           xFract="0.2500545"
                           y3="4.21445"
                           yFract="0.49934242"
                           z3="4.2361"
                           zFract="0.19064356"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0002"
                           xFract="0.0000237"
                           y3="-0.00938"
                           yFract="-0.00111137"
                           z3="6.36717"
                           zFract="0.28655131"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1500"
                           xFract="0.25473934"
                           y3="0.11306"
                           yFract="0.01339573"
                           z3="8.48598"
                           zFract="0.38190729"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.29964"
                           xFract="0.74640284"
                           y3="2.11732"
                           yFract="0.2508673"
                           z3="6.35202"
                           zFract="0.28586949"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02762"
                           xFract="0.00327251"
                           y3="2.13244"
                           yFract="0.25265877"
                           z3="6.36105"
                           zFract="0.28627588"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13793"
                           xFract="0.25330924"
                           y3="-0.04399"
                           yFract="-0.00521209"
                           z3="6.40265"
                           zFract="0.28814806"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43123"
                           xFract="0.9989609"
                           y3="0.06341"
                           yFract="0.00751303"
                           z3="4.25393"
                           zFract="0.19144599"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0191"
                           xFract="0.00226303"
                           y3="8.40559"
                           yFract="0.99592299"
                           z3="8.55742"
                           zFract="0.38512241"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11548"
                           xFract="0.25064929"
                           y3="2.18965"
                           yFract="0.2594372"
                           z3="4.23742"
                           zFract="0.19070297"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07906"
                           xFract="0.24633412"
                           y3="2.1299"
                           yFract="0.25235782"
                           z3="8.50129"
                           zFract="0.38259631"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20534"
                           xFract="0.49826303"
                           y3="2.13431"
                           yFract="0.25288033"
                           z3="6.31713"
                           zFract="0.28429928"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29647"
                           xFract="0.74602725"
                           y3="8.39349"
                           yFract="0.99448934"
                           z3="6.36781"
                           zFract="0.28658011"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23097"
                           xFract="0.50129976"
                           y3="0.01508"
                           yFract="0.00178673"
                           z3="4.18905"
                           zFract="0.1885261"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20993"
                           xFract="0.49880687"
                           y3="8.38699"
                           yFract="0.99371919"
                           z3="8.72696"
                           zFract="0.39275248"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32599"
                           xFract="0.74952488"
                           y3="2.23856"
                           yFract="0.26523223"
                           z3="4.20311"
                           zFract="0.18915887"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35124"
                           xFract="0.75251659"
                           y3="2.05778"
                           yFract="0.2438128"
                           z3="8.53933"
                           zFract="0.38430828"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03852"
                           xFract="0.00456398"
                           y3="6.3212"
                           yFract="0.74895735"
                           z3="6.36889"
                           zFract="0.28662871"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0642"
                           xFract="0.24457346"
                           y3="4.27021"
                           yFract="0.50594905"
                           z3="6.45295"
                           zFract="0.29041179"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.32927"
                           xFract="0.98688033"
                           y3="4.19006"
                           yFract="0.49645261"
                           z3="4.30397"
                           zFract="0.19369802"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00437"
                           xFract="0.00051777"
                           y3="4.22076"
                           yFract="0.50009005"
                           z3="8.52019"
                           zFract="0.38344689"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22778"
                           xFract="0.26395498"
                           y3="6.23661"
                           yFract="0.73893483"
                           z3="4.1965"
                           zFract="0.18886139"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16415"
                           xFract="0.25641588"
                           y3="6.22461"
                           yFract="0.73751303"
                           z3="8.91982"
                           zFract="0.40143204"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16942"
                           xFract="0.49400711"
                           y3="6.27994"
                           yFract="0.74406872"
                           z3="6.44394"
                           zFract="0.2900063"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34711"
                           xFract="0.75202725"
                           y3="4.24899"
                           yFract="0.50343483"
                           z3="6.44457"
                           zFract="0.29003465"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31841"
                           xFract="0.51165995"
                           y3="4.18155"
                           yFract="0.49544431"
                           z3="4.19051"
                           zFract="0.18859181"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22114"
                           xFract="0.50013507"
                           y3="4.21119"
                           yFract="0.49895616"
                           z3="8.77085"
                           zFract="0.39472772"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22885"
                           xFract="0.7380154"
                           y3="6.17742"
                           yFract="0.7319218"
                           z3="4.30114"
                           zFract="0.19357066"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34591"
                           xFract="0.75188507"
                           y3="6.33328"
                           yFract="0.75038863"
                           z3="8.49815"
                           zFract="0.382455"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.74">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.0495"
                           xFract="0.24283175"
                           y3="6.34497"
                           yFract="0.7517737"
                           z3="9.87758"
                           zFract="0.44453555"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24613"
                           xFract="0.50309597"
                           y3="6.32106"
                           yFract="0.74894076"
                           z3="4.23381"
                           zFract="0.1905405"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09131"
                           xFract="-0.01081872"
                           y3="6.29902"
                           yFract="0.74632938"
                           z3="8.46619"
                           zFract="0.38101665"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31706"
                           xFract="0.74846682"
                           y3="4.21862"
                           yFract="0.49983649"
                           z3="4.23033"
                           zFract="0.19038389"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32012"
                           xFract="0.74882938"
                           y3="6.29924"
                           yFract="0.74635545"
                           z3="6.35096"
                           zFract="0.28582178"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29561"
                           xFract="0.74592536"
                           y3="4.19876"
                           yFract="0.49748341"
                           z3="8.52486"
                           zFract="0.38365707"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.4301"
                           xFract="0.99882701"
                           y3="2.1317"
                           yFract="0.25257109"
                           z3="4.23834"
                           zFract="0.19074437"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22838"
                           xFract="0.50099289"
                           y3="2.09897"
                           yFract="0.24869313"
                           z3="4.20171"
                           zFract="0.18909586"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.3262"
                           xFract="0.51258294"
                           y3="6.28381"
                           yFract="0.74452725"
                           z3="8.48991"
                           zFract="0.38208416"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3142"
                           xFract="0.74812796"
                           y3="-0.01734"
                           yFract="-0.0020545"
                           z3="8.4483"
                           zFract="0.38021152"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14274"
                           xFract="0.25387915"
                           y3="2.10517"
                           yFract="0.24942773"
                           z3="6.31548"
                           zFract="0.28422502"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13118"
                           xFract="0.25250948"
                           y3="4.13834"
                           yFract="0.49032464"
                           z3="8.48159"
                           zFract="0.38170972"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12284"
                           xFract="0.25152133"
                           y3="6.33816"
                           yFract="0.75096682"
                           z3="6.18228"
                           zFract="0.27823042"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40882"
                           xFract="0.99630569"
                           y3="2.12039"
                           yFract="0.25123104"
                           z3="8.45215"
                           zFract="0.38038479"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40684"
                           xFract="0.99607109"
                           y3="4.24472"
                           yFract="0.50292891"
                           z3="6.39201"
                           zFract="0.28766922"/>
                     <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="2.1190"
                           xFract="0.25106635"
                           y3="-0.00125"
                           yFract="-0.0001481"
                           z3="4.19843"
                           zFract="0.18894824"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23098"
                           xFract="0.50130095"
                           y3="4.21587"
                           yFract="0.49951066"
                           z3="6.42048"
                           zFract="0.2889505"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00996"
                           xFract="-0.00118009"
                           y3="6.35711"
                           yFract="0.75321209"
                           z3="4.19912"
                           zFract="0.1889793"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22019"
                           xFract="0.50002251"
                           y3="8.42001"
                           yFract="0.99763152"
                           z3="6.35662"
                           zFract="0.28607651"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32324"
                           xFract="0.74919905"
                           y3="8.42027"
                           yFract="0.99766232"
                           z3="4.22909"
                           zFract="0.19032808"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26428"
                           xFract="0.50524645"
                           y3="2.11775"
                           yFract="0.25091825"
                           z3="8.54834"
                           zFract="0.38471377"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11062"
                           xFract="0.25007346"
                           y3="4.21487"
                           yFract="0.49939218"
                           z3="4.23578"
                           zFract="0.19062916"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.00009"
                           xFract="0.00001066"
                           y3="-0.00901"
                           yFract="-0.00106754"
                           z3="6.36643"
                           zFract="0.286518"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15034"
                           xFract="0.25477962"
                           y3="0.11232"
                           yFract="0.01330806"
                           z3="8.48502"
                           zFract="0.38186409"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.29985"
                           xFract="0.74642773"
                           y3="2.11713"
                           yFract="0.25084479"
                           z3="6.35175"
                           zFract="0.28585734"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02748"
                           xFract="0.00325592"
                           y3="2.13252"
                           yFract="0.25266825"
                           z3="6.36051"
                           zFract="0.28625158"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13798"
                           xFract="0.25331517"
                           y3="-0.04393"
                           yFract="-0.00520498"
                           z3="6.40168"
                           zFract="0.28810441"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.43058"
                           xFract="0.99888389"
                           y3="0.06415"
                           yFract="0.00760071"
                           z3="4.25334"
                           zFract="0.19141944"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01868"
                           xFract="0.00221327"
                           y3="8.40593"
                           yFract="0.99596327"
                           z3="8.55673"
                           zFract="0.38509136"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11585"
                           xFract="0.25069313"
                           y3="2.18966"
                           yFract="0.25943839"
                           z3="4.23704"
                           zFract="0.19068587"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07918"
                           xFract="0.24634834"
                           y3="2.13068"
                           yFract="0.25245024"
                           z3="8.50104"
                           zFract="0.38258506"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20521"
                           xFract="0.49824763"
                           y3="2.1342"
                           yFract="0.2528673"
                           z3="6.31725"
                           zFract="0.28430468"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29649"
                           xFract="0.74602962"
                           y3="8.39338"
                           yFract="0.9944763"
                           z3="6.36752"
                           zFract="0.28656706"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2317"
                           xFract="0.50138626"
                           y3="0.01479"
                           yFract="0.00175237"
                           z3="4.18888"
                           zFract="0.18851845"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21077"
                           xFract="0.4989064"
                           y3="8.38716"
                           yFract="0.99373934"
                           z3="8.72633"
                           zFract="0.39272412"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32577"
                           xFract="0.74949882"
                           y3="2.23908"
                           yFract="0.26529384"
                           z3="4.20258"
                           zFract="0.18913501"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35103"
                           xFract="0.75249171"
                           y3="2.05808"
                           yFract="0.24384834"
                           z3="8.53827"
                           zFract="0.38426058"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03836"
                           xFract="0.00454502"
                           y3="6.32103"
                           yFract="0.7489372"
                           z3="6.36769"
                           zFract="0.28657471"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06413"
                           xFract="0.24456517"
                           y3="4.27031"
                           yFract="0.5059609"
                           z3="6.4529"
                           zFract="0.29040954"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.32953"
                           xFract="0.98691114"
                           y3="4.1895"
                           yFract="0.49638626"
                           z3="4.30356"
                           zFract="0.19367957"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00509"
                           xFract="0.00060308"
                           y3="4.22076"
                           yFract="0.50009005"
                           z3="8.52039"
                           zFract="0.3834559"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22787"
                           xFract="0.26396564"
                           y3="6.23698"
                           yFract="0.73897867"
                           z3="4.19632"
                           zFract="0.18885329"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16398"
                           xFract="0.25639573"
                           y3="6.22594"
                           yFract="0.73767062"
                           z3="8.91772"
                           zFract="0.40133753"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16926"
                           xFract="0.49398815"
                           y3="6.28042"
                           yFract="0.74412559"
                           z3="6.44396"
                           zFract="0.2900072"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34711"
                           xFract="0.75202725"
                           y3="4.24919"
                           yFract="0.50345853"
                           z3="6.44438"
                           zFract="0.2900261"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31824"
                           xFract="0.51163981"
                           y3="4.18155"
                           yFract="0.49544431"
                           z3="4.19102"
                           zFract="0.18861476"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2204"
                           xFract="0.50004739"
                           y3="4.21161"
                           yFract="0.49900592"
                           z3="8.76977"
                           zFract="0.39467912"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22916"
                           xFract="0.73805213"
                           y3="6.17689"
                           yFract="0.731859"
                           z3="4.30087"
                           zFract="0.19355851"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34599"
                           xFract="0.75189455"
                           y3="6.33284"
                           yFract="0.75033649"
                           z3="8.49785"
                           zFract="0.38244149"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.75">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04916"
                           xFract="0.24279147"
                           y3="6.34518"
                           yFract="0.75179858"
                           z3="9.87515"
                           zFract="0.44442619"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24607"
                           xFract="0.50308886"
                           y3="6.32112"
                           yFract="0.74894787"
                           z3="4.23421"
                           zFract="0.19055851"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09146"
                           xFract="-0.01083649"
                           y3="6.29895"
                           yFract="0.74632109"
                           z3="8.46547"
                           zFract="0.38098425"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31677"
                           xFract="0.74843246"
                           y3="4.21885"
                           yFract="0.49986374"
                           z3="4.2299"
                           zFract="0.19036454"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32024"
                           xFract="0.7488436"
                           y3="6.29915"
                           yFract="0.74634479"
                           z3="6.35063"
                           zFract="0.28580693"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29582"
                           xFract="0.74595024"
                           y3="4.19897"
                           yFract="0.49750829"
                           z3="8.5244"
                           zFract="0.38363636"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43032"
                           xFract="0.99885308"
                           y3="2.13177"
                           yFract="0.25257938"
                           z3="4.23757"
                           zFract="0.19070972"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22833"
                           xFract="0.50098697"
                           y3="2.09908"
                           yFract="0.24870616"
                           z3="4.2024"
                           zFract="0.18912691"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32604"
                           xFract="0.51256398"
                           y3="6.28422"
                           yFract="0.74457583"
                           z3="8.48958"
                           zFract="0.38206931"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31517"
                           xFract="0.74824289"
                           y3="-0.01762"
                           yFract="-0.00208768"
                           z3="8.44815"
                           zFract="0.38020477"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14225"
                           xFract="0.25382109"
                           y3="2.10527"
                           yFract="0.24943957"
                           z3="6.31532"
                           zFract="0.28421782"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13079"
                           xFract="0.25246327"
                           y3="4.13777"
                           yFract="0.49025711"
                           z3="8.48094"
                           zFract="0.38168047"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1228"
                           xFract="0.25151659"
                           y3="6.33843"
                           yFract="0.75099882"
                           z3="6.18231"
                           zFract="0.27823177"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40907"
                           xFract="0.99633531"
                           y3="2.11998"
                           yFract="0.25118246"
                           z3="8.45213"
                           zFract="0.38038389"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40688"
                           xFract="0.99607583"
                           y3="4.24426"
                           yFract="0.50287441"
                           z3="6.39135"
                           zFract="0.28763951"/>
                     <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="2.11881"
                           xFract="0.25104384"
                           y3="-0.00152"
                           yFract="-0.00018009"
                           z3="4.1983"
                           zFract="0.18894239"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23129"
                           xFract="0.50133768"
                           y3="4.21589"
                           yFract="0.49951303"
                           z3="6.42082"
                           zFract="0.2889658"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00957"
                           xFract="-0.00113389"
                           y3="6.3573"
                           yFract="0.7532346"
                           z3="4.19913"
                           zFract="0.18897975"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22034"
                           xFract="0.50004028"
                           y3="8.42023"
                           yFract="0.99765758"
                           z3="6.35687"
                           zFract="0.28608776"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32332"
                           xFract="0.74920853"
                           y3="8.42005"
                           yFract="0.99763626"
                           z3="4.2286"
                           zFract="0.19030603"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26388"
                           xFract="0.50519905"
                           y3="2.11778"
                           yFract="0.2509218"
                           z3="8.54826"
                           zFract="0.38471017"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11076"
                           xFract="0.25009005"
                           y3="4.21527"
                           yFract="0.49943957"
                           z3="4.23549"
                           zFract="0.19061611"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.0000"
                           xFract="0.0000"
                           y3="-0.00867"
                           yFract="-0.00102725"
                           z3="6.36575"
                           zFract="0.2864874"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15065"
                           xFract="0.25481635"
                           y3="0.11164"
                           yFract="0.01322749"
                           z3="8.48412"
                           zFract="0.38182358"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30004"
                           xFract="0.74645024"
                           y3="2.11696"
                           yFract="0.25082464"
                           z3="6.35149"
                           zFract="0.28584563"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02735"
                           xFract="0.00324052"
                           y3="2.1326"
                           yFract="0.25267773"
                           z3="6.36001"
                           zFract="0.28622907"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13802"
                           xFract="0.25331991"
                           y3="-0.04387"
                           yFract="-0.00519787"
                           z3="6.40077"
                           zFract="0.28806346"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42997"
                           xFract="0.99881161"
                           y3="0.06483"
                           yFract="0.00768128"
                           z3="4.25278"
                           zFract="0.19139424"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01828"
                           xFract="0.00216588"
                           y3="8.40625"
                           yFract="0.99600118"
                           z3="8.55609"
                           zFract="0.38506256"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1162"
                           xFract="0.2507346"
                           y3="2.18967"
                           yFract="0.25943957"
                           z3="4.23668"
                           zFract="0.19066967"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07929"
                           xFract="0.24636137"
                           y3="2.1314"
                           yFract="0.25253555"
                           z3="8.5008"
                           zFract="0.38257426"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20508"
                           xFract="0.49823223"
                           y3="2.13409"
                           yFract="0.25285427"
                           z3="6.31736"
                           zFract="0.28430963"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29651"
                           xFract="0.74603199"
                           y3="8.39327"
                           yFract="0.99446327"
                           z3="6.36726"
                           zFract="0.28655536"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23239"
                           xFract="0.50146801"
                           y3="0.01452"
                           yFract="0.00172038"
                           z3="4.18872"
                           zFract="0.18851125"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21155"
                           xFract="0.49899882"
                           y3="8.38732"
                           yFract="0.99375829"
                           z3="8.72574"
                           zFract="0.39269757"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32557"
                           xFract="0.74947512"
                           y3="2.23956"
                           yFract="0.26535071"
                           z3="4.20209"
                           zFract="0.18911296"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35083"
                           xFract="0.75246801"
                           y3="2.05835"
                           yFract="0.24388033"
                           z3="8.53728"
                           zFract="0.38421602"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03822"
                           xFract="0.00452844"
                           y3="6.32087"
                           yFract="0.74891825"
                           z3="6.36657"
                           zFract="0.2865243"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06406"
                           xFract="0.24455687"
                           y3="4.2704"
                           yFract="0.50597156"
                           z3="6.45285"
                           zFract="0.29040729"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.32977"
                           xFract="0.98693957"
                           y3="4.18897"
                           yFract="0.49632346"
                           z3="4.30319"
                           zFract="0.19366292"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00576"
                           xFract="0.00068246"
                           y3="4.22075"
                           yFract="0.50008886"
                           z3="8.52057"
                           zFract="0.383464"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22796"
                           xFract="0.2639763"
                           y3="6.23732"
                           yFract="0.73901896"
                           z3="4.19614"
                           zFract="0.18884518"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16383"
                           xFract="0.25637796"
                           y3="6.22718"
                           yFract="0.73781754"
                           z3="8.91576"
                           zFract="0.40124932"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.1691"
                           xFract="0.49396919"
                           y3="6.28087"
                           yFract="0.74417891"
                           z3="6.44397"
                           zFract="0.29000765"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34712"
                           xFract="0.75202844"
                           y3="4.24938"
                           yFract="0.50348104"
                           z3="6.44421"
                           zFract="0.29001845"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31809"
                           xFract="0.51162204"
                           y3="4.18155"
                           yFract="0.49544431"
                           z3="4.19149"
                           zFract="0.18863591"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2197"
                           xFract="0.49996445"
                           y3="4.2120"
                           yFract="0.49905213"
                           z3="8.76877"
                           zFract="0.39463411"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22945"
                           xFract="0.73808649"
                           y3="6.1764"
                           yFract="0.73180095"
                           z3="4.30062"
                           zFract="0.19354725"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34607"
                           xFract="0.75190403"
                           y3="6.33244"
                           yFract="0.7502891"
                           z3="8.49756"
                           zFract="0.38242844"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.76">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04905"
                           xFract="0.24277844"
                           y3="6.34538"
                           yFract="0.75182227"
                           z3="9.87575"
                           zFract="0.4444532"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24597"
                           xFract="0.50307701"
                           y3="6.32113"
                           yFract="0.74894905"
                           z3="4.23428"
                           zFract="0.19056166"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09143"
                           xFract="-0.01083294"
                           y3="6.29888"
                           yFract="0.7463128"
                           z3="8.46549"
                           zFract="0.38098515"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31672"
                           xFract="0.74842654"
                           y3="4.21892"
                           yFract="0.49987204"
                           z3="4.22971"
                           zFract="0.19035599"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32033"
                           xFract="0.74885427"
                           y3="6.29923"
                           yFract="0.74635427"
                           z3="6.35075"
                           zFract="0.28581233"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29595"
                           xFract="0.74596564"
                           y3="4.1991"
                           yFract="0.4975237"
                           z3="8.52433"
                           zFract="0.38363321"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43042"
                           xFract="0.99886493"
                           y3="2.13173"
                           yFract="0.25257464"
                           z3="4.23738"
                           zFract="0.19070117"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22824"
                           xFract="0.5009763"
                           y3="2.09913"
                           yFract="0.24871209"
                           z3="4.20262"
                           zFract="0.18913681"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32589"
                           xFract="0.51254621"
                           y3="6.28425"
                           yFract="0.74457938"
                           z3="8.48971"
                           zFract="0.38207516"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31535"
                           xFract="0.74826422"
                           y3="-0.01783"
                           yFract="-0.00211256"
                           z3="8.4483"
                           zFract="0.38021152"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1421"
                           xFract="0.25380332"
                           y3="2.10526"
                           yFract="0.24943839"
                           z3="6.31535"
                           zFract="0.28421917"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13075"
                           xFract="0.25245853"
                           y3="4.13775"
                           yFract="0.49025474"
                           z3="8.48109"
                           zFract="0.38168722"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12285"
                           xFract="0.25152251"
                           y3="6.33851"
                           yFract="0.75100829"
                           z3="6.18233"
                           zFract="0.27823267"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.4091"
                           xFract="0.99633886"
                           y3="2.1199"
                           yFract="0.25117299"
                           z3="8.45219"
                           zFract="0.38038659"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40684"
                           xFract="0.99607109"
                           y3="4.24412"
                           yFract="0.50285782"
                           z3="6.39124"
                           zFract="0.28763456"/>
                     <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="2.11869"
                           xFract="0.25102962"
                           y3="-0.0016"
                           yFract="-0.00018957"
                           z3="4.19829"
                           zFract="0.18894194"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2314"
                           xFract="0.50135071"
                           y3="4.21582"
                           yFract="0.49950474"
                           z3="6.42074"
                           zFract="0.2889622"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00955"
                           xFract="-0.00113152"
                           y3="6.35735"
                           yFract="0.75324052"
                           z3="4.19918"
                           zFract="0.188982"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22039"
                           xFract="0.50004621"
                           y3="8.42019"
                           yFract="0.99765284"
                           z3="6.35689"
                           zFract="0.28608866"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32338"
                           xFract="0.74921564"
                           y3="8.42001"
                           yFract="0.99763152"
                           z3="4.22861"
                           zFract="0.19030648"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26375"
                           xFract="0.50518365"
                           y3="2.1178"
                           yFract="0.25092417"
                           z3="8.54832"
                           zFract="0.38471287"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11073"
                           xFract="0.25008649"
                           y3="4.21532"
                           yFract="0.4994455"
                           z3="4.23536"
                           zFract="0.19061026"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00009"
                           xFract="-0.00001066"
                           y3="-0.00863"
                           yFract="-0.00102251"
                           z3="6.36582"
                           zFract="0.28649055"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15073"
                           xFract="0.25482583"
                           y3="0.1114"
                           yFract="0.01319905"
                           z3="8.48423"
                           zFract="0.38182853"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30016"
                           xFract="0.74646445"
                           y3="2.11694"
                           yFract="0.25082227"
                           z3="6.35153"
                           zFract="0.28584743"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02728"
                           xFract="0.00323223"
                           y3="2.1326"
                           yFract="0.25267773"
                           z3="6.35995"
                           zFract="0.28622637"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13816"
                           xFract="0.25333649"
                           y3="-0.04391"
                           yFract="-0.00520261"
                           z3="6.40067"
                           zFract="0.28805896"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42992"
                           xFract="0.99880569"
                           y3="0.06484"
                           yFract="0.00768246"
                           z3="4.25274"
                           zFract="0.19139244"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01825"
                           xFract="0.00216232"
                           y3="8.40641"
                           yFract="0.99602014"
                           z3="8.5560"
                           zFract="0.38505851"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11621"
                           xFract="0.25073578"
                           y3="2.18969"
                           yFract="0.25944194"
                           z3="4.23659"
                           zFract="0.19066562"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07932"
                           xFract="0.24636493"
                           y3="2.1318"
                           yFract="0.25258294"
                           z3="8.50067"
                           zFract="0.38256841"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20505"
                           xFract="0.49822867"
                           y3="2.13419"
                           yFract="0.25286611"
                           z3="6.31734"
                           zFract="0.28430873"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29644"
                           xFract="0.7460237"
                           y3="8.39333"
                           yFract="0.99447038"
                           z3="6.36724"
                           zFract="0.28655446"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23244"
                           xFract="0.50147393"
                           y3="0.01449"
                           yFract="0.00171682"
                           z3="4.18863"
                           zFract="0.1885072"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21149"
                           xFract="0.49899171"
                           y3="8.38735"
                           yFract="0.99376185"
                           z3="8.72562"
                           zFract="0.39269217"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32559"
                           xFract="0.74947749"
                           y3="2.2396"
                           yFract="0.26535545"
                           z3="4.20194"
                           zFract="0.18910621"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35083"
                           xFract="0.75246801"
                           y3="2.05836"
                           yFract="0.24388152"
                           z3="8.53719"
                           zFract="0.38421197"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03824"
                           xFract="0.00453081"
                           y3="6.32083"
                           yFract="0.74891351"
                           z3="6.36643"
                           zFract="0.286518"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06418"
                           xFract="0.24457109"
                           y3="4.27046"
                           yFract="0.50597867"
                           z3="6.4529"
                           zFract="0.29040954"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.32984"
                           xFract="0.98694787"
                           y3="4.18891"
                           yFract="0.49631635"
                           z3="4.30326"
                           zFract="0.19366607"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00585"
                           xFract="0.00069313"
                           y3="4.22071"
                           yFract="0.50008412"
                           z3="8.52059"
                           zFract="0.3834649"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22795"
                           xFract="0.26397512"
                           y3="6.23733"
                           yFract="0.73902014"
                           z3="4.1961"
                           zFract="0.18884338"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16399"
                           xFract="0.25639692"
                           y3="6.22704"
                           yFract="0.73780095"
                           z3="8.9147"
                           zFract="0.40120162"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16896"
                           xFract="0.49395261"
                           y3="6.28087"
                           yFract="0.74417891"
                           z3="6.44398"
                           zFract="0.2900081"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34701"
                           xFract="0.7520154"
                           y3="4.24939"
                           yFract="0.50348223"
                           z3="6.44424"
                           zFract="0.2900198"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31807"
                           xFract="0.51161967"
                           y3="4.18149"
                           yFract="0.4954372"
                           z3="4.19151"
                           zFract="0.18863681"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21965"
                           xFract="0.49995853"
                           y3="4.21193"
                           yFract="0.49904384"
                           z3="8.7686"
                           zFract="0.39462646"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22947"
                           xFract="0.73808886"
                           y3="6.17638"
                           yFract="0.73179858"
                           z3="4.30056"
                           zFract="0.19354455"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34596"
                           xFract="0.751891"
                           y3="6.33233"
                           yFract="0.75027607"
                           z3="8.49744"
                           zFract="0.38242304"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.77">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04892"
                           xFract="0.24276303"
                           y3="6.3456"
                           yFract="0.75184834"
                           z3="9.87644"
                           zFract="0.44448425"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24586"
                           xFract="0.50306398"
                           y3="6.32115"
                           yFract="0.74895142"
                           z3="4.23436"
                           zFract="0.19056526"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09141"
                           xFract="-0.01083057"
                           y3="6.29881"
                           yFract="0.7463045"
                           z3="8.46552"
                           zFract="0.3809865"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31666"
                           xFract="0.74841943"
                           y3="4.2190"
                           yFract="0.49988152"
                           z3="4.22948"
                           zFract="0.19034563"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32043"
                           xFract="0.74886611"
                           y3="6.29932"
                           yFract="0.74636493"
                           z3="6.35089"
                           zFract="0.28581863"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29611"
                           xFract="0.7459846"
                           y3="4.19926"
                           yFract="0.49754265"
                           z3="8.52424"
                           zFract="0.38362916"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43053"
                           xFract="0.99887796"
                           y3="2.1317"
                           yFract="0.25257109"
                           z3="4.23716"
                           zFract="0.19069127"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22813"
                           xFract="0.50096327"
                           y3="2.0992"
                           yFract="0.24872038"
                           z3="4.20289"
                           zFract="0.18914896"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32573"
                           xFract="0.51252725"
                           y3="6.28429"
                           yFract="0.74458412"
                           z3="8.48985"
                           zFract="0.38208146"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31556"
                           xFract="0.7482891"
                           y3="-0.01807"
                           yFract="-0.002141"
                           z3="8.44848"
                           zFract="0.38021962"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14192"
                           xFract="0.25378199"
                           y3="2.10524"
                           yFract="0.24943602"
                           z3="6.31538"
                           zFract="0.28422052"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1307"
                           xFract="0.25245261"
                           y3="4.13772"
                           yFract="0.49025118"
                           z3="8.48127"
                           zFract="0.38169532"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12292"
                           xFract="0.25153081"
                           y3="6.33861"
                           yFract="0.75102014"
                           z3="6.18236"
                           zFract="0.27823402"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40915"
                           xFract="0.99634479"
                           y3="2.11981"
                           yFract="0.25116232"
                           z3="8.45225"
                           zFract="0.38038929"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.4068"
                           xFract="0.99606635"
                           y3="4.24396"
                           yFract="0.50283886"
                           z3="6.39111"
                           zFract="0.28762871"/>
                     <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="2.11854"
                           xFract="0.25101185"
                           y3="-0.00169"
                           yFract="-0.00020024"
                           z3="4.19828"
                           zFract="0.18894149"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23152"
                           xFract="0.50136493"
                           y3="4.21573"
                           yFract="0.49949408"
                           z3="6.42065"
                           zFract="0.28895815"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00953"
                           xFract="-0.00112915"
                           y3="6.3574"
                           yFract="0.75324645"
                           z3="4.19923"
                           zFract="0.18898425"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22044"
                           xFract="0.50005213"
                           y3="8.42013"
                           yFract="0.99764573"
                           z3="6.35692"
                           zFract="0.28609001"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32344"
                           xFract="0.74922275"
                           y3="8.41997"
                           yFract="0.99762678"
                           z3="4.22861"
                           zFract="0.19030648"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26361"
                           xFract="0.50516706"
                           y3="2.11783"
                           yFract="0.25092773"
                           z3="8.54839"
                           zFract="0.38471602"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11071"
                           xFract="0.25008412"
                           y3="4.21539"
                           yFract="0.49945379"
                           z3="4.23522"
                           zFract="0.19060396"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00019"
                           xFract="-0.00002251"
                           y3="-0.00858"
                           yFract="-0.00101659"
                           z3="6.36589"
                           zFract="0.2864937"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15082"
                           xFract="0.25483649"
                           y3="0.11112"
                           yFract="0.01316588"
                           z3="8.48435"
                           zFract="0.38183393"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.3003"
                           xFract="0.74648104"
                           y3="2.11692"
                           yFract="0.25081991"
                           z3="6.35159"
                           zFract="0.28585014"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0272"
                           xFract="0.00322275"
                           y3="2.1326"
                           yFract="0.25267773"
                           z3="6.35987"
                           zFract="0.28622277"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13832"
                           xFract="0.25335545"
                           y3="-0.04397"
                           yFract="-0.00520972"
                           z3="6.40054"
                           zFract="0.28805311"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42987"
                           xFract="0.99879976"
                           y3="0.06484"
                           yFract="0.00768246"
                           z3="4.25269"
                           zFract="0.19139019"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01821"
                           xFract="0.00215758"
                           y3="8.40659"
                           yFract="0.99604147"
                           z3="8.55591"
                           zFract="0.38505446"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11621"
                           xFract="0.25073578"
                           y3="2.1897"
                           yFract="0.25944313"
                           z3="4.2365"
                           zFract="0.19066157"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07937"
                           xFract="0.24637085"
                           y3="2.13228"
                           yFract="0.25263981"
                           z3="8.50052"
                           zFract="0.38256166"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20502"
                           xFract="0.49822512"
                           y3="2.1343"
                           yFract="0.25287915"
                           z3="6.31731"
                           zFract="0.28430738"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29636"
                           xFract="0.74601422"
                           y3="8.39339"
                           yFract="0.99447749"
                           z3="6.36722"
                           zFract="0.28655356"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23249"
                           xFract="0.50147986"
                           y3="0.01445"
                           yFract="0.00171209"
                           z3="4.18852"
                           zFract="0.18850225"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21142"
                           xFract="0.49898341"
                           y3="8.38737"
                           yFract="0.99376422"
                           z3="8.72547"
                           zFract="0.39268542"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32561"
                           xFract="0.74947986"
                           y3="2.23964"
                           yFract="0.26536019"
                           z3="4.20177"
                           zFract="0.18909856"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35082"
                           xFract="0.75246682"
                           y3="2.05837"
                           yFract="0.2438827"
                           z3="8.53708"
                           zFract="0.38420702"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03825"
                           xFract="0.00453199"
                           y3="6.32079"
                           yFract="0.74890877"
                           z3="6.36627"
                           zFract="0.2865108"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06431"
                           xFract="0.24458649"
                           y3="4.27054"
                           yFract="0.50598815"
                           z3="6.45296"
                           zFract="0.29041224"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.32991"
                           xFract="0.98695616"
                           y3="4.18884"
                           yFract="0.49630806"
                           z3="4.30334"
                           zFract="0.19366967"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00595"
                           xFract="0.00070498"
                           y3="4.22066"
                           yFract="0.5000782"
                           z3="8.52061"
                           zFract="0.3834658"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22795"
                           xFract="0.26397512"
                           y3="6.23734"
                           yFract="0.73902133"
                           z3="4.19605"
                           zFract="0.18884113"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16419"
                           xFract="0.25642062"
                           y3="6.22687"
                           yFract="0.73778081"
                           z3="8.91345"
                           zFract="0.40114536"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.1688"
                           xFract="0.49393365"
                           y3="6.28087"
                           yFract="0.74417891"
                           z3="6.44399"
                           zFract="0.29000855"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34689"
                           xFract="0.75200118"
                           y3="4.2494"
                           yFract="0.50348341"
                           z3="6.44428"
                           zFract="0.2900216"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31806"
                           xFract="0.51161848"
                           y3="4.18142"
                           yFract="0.49542891"
                           z3="4.19153"
                           zFract="0.18863771"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21959"
                           xFract="0.49995142"
                           y3="4.21186"
                           yFract="0.49903555"
                           z3="8.76839"
                           zFract="0.39461701"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2295"
                           xFract="0.73809242"
                           y3="6.17636"
                           yFract="0.73179621"
                           z3="4.30049"
                           zFract="0.1935414"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34583"
                           xFract="0.75187559"
                           y3="6.3322"
                           yFract="0.75026066"
                           z3="8.4973"
                           zFract="0.38241674"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.78">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04895"
                           xFract="0.24276659"
                           y3="6.3457"
                           yFract="0.75186019"
                           z3="9.8762"
                           zFract="0.44447345"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24577"
                           xFract="0.50305332"
                           y3="6.32117"
                           yFract="0.74895379"
                           z3="4.23443"
                           zFract="0.19056841"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09137"
                           xFract="-0.01082583"
                           y3="6.29871"
                           yFract="0.74629265"
                           z3="8.4656"
                           zFract="0.3809901"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31663"
                           xFract="0.74841588"
                           y3="4.21907"
                           yFract="0.49988981"
                           z3="4.22924"
                           zFract="0.19033483"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32053"
                           xFract="0.74887796"
                           y3="6.29944"
                           yFract="0.74637915"
                           z3="6.35107"
                           zFract="0.28582673"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29628"
                           xFract="0.74600474"
                           y3="4.19943"
                           yFract="0.4975628"
                           z3="8.52418"
                           zFract="0.38362646"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43065"
                           xFract="0.99889218"
                           y3="2.13165"
                           yFract="0.25256517"
                           z3="4.23695"
                           zFract="0.19068182"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22802"
                           xFract="0.50095024"
                           y3="2.09925"
                           yFract="0.2487263"
                           z3="4.20314"
                           zFract="0.18916022"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32553"
                           xFract="0.51250355"
                           y3="6.28427"
                           yFract="0.74458175"
                           z3="8.49005"
                           zFract="0.38209046"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31571"
                           xFract="0.74830687"
                           y3="-0.01833"
                           yFract="-0.0021718"
                           z3="8.44871"
                           zFract="0.38022997"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14176"
                           xFract="0.25376303"
                           y3="2.10523"
                           yFract="0.24943483"
                           z3="6.31543"
                           zFract="0.28422277"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13068"
                           xFract="0.25245024"
                           y3="4.13777"
                           yFract="0.49025711"
                           z3="8.48155"
                           zFract="0.38170792"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12299"
                           xFract="0.2515391"
                           y3="6.33868"
                           yFract="0.75102844"
                           z3="6.18239"
                           zFract="0.27823537"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40916"
                           xFract="0.99634597"
                           y3="2.11974"
                           yFract="0.25115403"
                           z3="8.45233"
                           zFract="0.38039289"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.40675"
                           xFract="0.99606043"
                           y3="4.24382"
                           yFract="0.50282227"
                           z3="6.39101"
                           zFract="0.28762421"/>
                     <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="2.11838"
                           xFract="0.25099289"
                           y3="-0.00177"
                           yFract="-0.00020972"
                           z3="4.19828"
                           zFract="0.18894149"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23163"
                           xFract="0.50137796"
                           y3="4.21562"
                           yFract="0.49948104"
                           z3="6.4205"
                           zFract="0.2889514"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00954"
                           xFract="-0.00113033"
                           y3="6.35744"
                           yFract="0.75325118"
                           z3="4.19929"
                           zFract="0.18898695"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2205"
                           xFract="0.50005924"
                           y3="8.42005"
                           yFract="0.99763626"
                           z3="6.35691"
                           zFract="0.28608956"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3235"
                           xFract="0.74922986"
                           y3="8.41994"
                           yFract="0.99762322"
                           z3="4.22867"
                           zFract="0.19030918"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26347"
                           xFract="0.50515047"
                           y3="2.11786"
                           yFract="0.25093128"
                           z3="8.54848"
                           zFract="0.38472007"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11064"
                           xFract="0.25007583"
                           y3="4.21542"
                           yFract="0.49945735"
                           z3="4.23507"
                           zFract="0.19059721"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.0003"
                           xFract="-0.00003555"
                           y3="-0.00856"
                           yFract="-0.00101422"
                           z3="6.36606"
                           zFract="0.28650135"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15089"
                           xFract="0.25484479"
                           y3="0.11089"
                           yFract="0.01313863"
                           z3="8.48458"
                           zFract="0.38184428"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30044"
                           xFract="0.74649763"
                           y3="2.11691"
                           yFract="0.25081872"
                           z3="6.35168"
                           zFract="0.28585419"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02712"
                           xFract="0.00321327"
                           y3="2.13258"
                           yFract="0.25267536"
                           z3="6.35985"
                           zFract="0.28622187"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13852"
                           xFract="0.25337915"
                           y3="-0.04403"
                           yFract="-0.00521682"
                           z3="6.40054"
                           zFract="0.28805311"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42988"
                           xFract="0.99880095"
                           y3="0.06476"
                           yFract="0.00767299"
                           z3="4.25271"
                           zFract="0.19139109"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01825"
                           xFract="0.00216232"
                           y3="8.40679"
                           yFract="0.99606517"
                           z3="8.55588"
                           zFract="0.38505311"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11617"
                           xFract="0.25073104"
                           y3="2.18971"
                           yFract="0.25944431"
                           z3="4.23643"
                           zFract="0.19065842"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07941"
                           xFract="0.24637559"
                           y3="2.13271"
                           yFract="0.25269076"
                           z3="8.50035"
                           zFract="0.38255401"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20499"
                           xFract="0.49822156"
                           y3="2.13446"
                           yFract="0.2528981"
                           z3="6.31726"
                           zFract="0.28430513"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29625"
                           xFract="0.74600118"
                           y3="8.39349"
                           yFract="0.99448934"
                           z3="6.36723"
                           zFract="0.28655401"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23247"
                           xFract="0.50147749"
                           y3="0.01445"
                           yFract="0.00171209"
                           z3="4.18839"
                           zFract="0.1884964"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21118"
                           xFract="0.49895498"
                           y3="8.38739"
                           yFract="0.99376659"
                           z3="8.72538"
                           zFract="0.39268137"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32565"
                           xFract="0.7494846"
                           y3="2.23963"
                           yFract="0.265359"
                           z3="4.2016"
                           zFract="0.18909091"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35085"
                           xFract="0.75247038"
                           y3="2.05834"
                           yFract="0.24387915"
                           z3="8.5371"
                           zFract="0.38420792"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0383"
                           xFract="0.00453791"
                           y3="6.32075"
                           yFract="0.74890403"
                           z3="6.36624"
                           zFract="0.28650945"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0645"
                           xFract="0.244609"
                           y3="4.27063"
                           yFract="0.50599882"
                           z3="6.45303"
                           zFract="0.29041539"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.32997"
                           xFract="0.98696327"
                           y3="4.18882"
                           yFract="0.49630569"
                           z3="4.30352"
                           zFract="0.19367777"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00597"
                           xFract="0.00070735"
                           y3="4.22059"
                           yFract="0.50006991"
                           z3="8.52061"
                           zFract="0.3834658"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.22792"
                           xFract="0.26397156"
                           y3="6.23732"
                           yFract="0.73901896"
                           z3="4.19601"
                           zFract="0.18883933"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1643"
                           xFract="0.25643365"
                           y3="6.22665"
                           yFract="0.73775474"
                           z3="8.91349"
                           zFract="0.40114716"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16862"
                           xFract="0.49391232"
                           y3="6.2808"
                           yFract="0.74417062"
                           z3="6.4440"
                           zFract="0.290009"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34673"
                           xFract="0.75198223"
                           y3="4.2494"
                           yFract="0.50348341"
                           z3="6.44435"
                           zFract="0.29002475"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31805"
                           xFract="0.5116173"
                           y3="4.18134"
                           yFract="0.49541943"
                           z3="4.19147"
                           zFract="0.18863501"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21964"
                           xFract="0.49995735"
                           y3="4.2117"
                           yFract="0.49901659"
                           z3="8.76828"
                           zFract="0.39461206"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22948"
                           xFract="0.73809005"
                           y3="6.17643"
                           yFract="0.7318045"
                           z3="4.30044"
                           zFract="0.19353915"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34565"
                           xFract="0.75185427"
                           y3="6.33209"
                           yFract="0.75024763"
                           z3="8.49716"
                           zFract="0.38241044"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.79">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04905"
                           xFract="0.24277844"
                           y3="6.34599"
                           yFract="0.75189455"
                           z3="9.87549"
                           zFract="0.44444149"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.24548"
                           xFract="0.50301896"
                           y3="6.32122"
                           yFract="0.74895972"
                           z3="4.23465"
                           zFract="0.19057831"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="-0.09126"
                           xFract="-0.0108128"
                           y3="6.29843"
                           yFract="0.74625948"
                           z3="8.46583"
                           zFract="0.38100045"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.31655"
                           xFract="0.7484064"
                           y3="4.21929"
                           yFract="0.49991588"
                           z3="4.22851"
                           zFract="0.19030198"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32084"
                           xFract="0.74891469"
                           y3="6.2998"
                           yFract="0.7464218"
                           z3="6.35162"
                           zFract="0.28585149"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.29679"
                           xFract="0.74606517"
                           y3="4.19994"
                           yFract="0.49762322"
                           z3="8.52399"
                           zFract="0.38361791"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="8.43099"
                           xFract="0.99893246"
                           y3="2.1315"
                           yFract="0.25254739"
                           z3="4.23634"
                           zFract="0.19065437"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22769"
                           xFract="0.50091114"
                           y3="2.09939"
                           yFract="0.24874289"
                           z3="4.2039"
                           zFract="0.18919442"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.32496"
                           xFract="0.51243602"
                           y3="6.2842"
                           yFract="0.74457346"
                           z3="8.49063"
                           zFract="0.38211656"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.31617"
                           xFract="0.74836137"
                           y3="-0.01912"
                           yFract="-0.0022654"
                           z3="8.44942"
                           zFract="0.38026193"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.14128"
                           xFract="0.25370616"
                           y3="2.10519"
                           yFract="0.24943009"
                           z3="6.31559"
                           zFract="0.28422997"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13063"
                           xFract="0.25244431"
                           y3="4.13791"
                           yFract="0.4902737"
                           z3="8.48238"
                           zFract="0.38174527"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.12322"
                           xFract="0.25156635"
                           y3="6.33888"
                           yFract="0.75105213"
                           z3="6.1825"
                           zFract="0.27824032"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="8.40922"
                           xFract="0.99635308"
                           y3="2.11956"
                           yFract="0.2511327"
                           z3="8.45256"
                           zFract="0.38040324"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="8.4066"
                           xFract="0.99604265"
                           y3="4.24339"
                           yFract="0.50277133"
                           z3="6.39073"
                           zFract="0.28761161"/>
                     <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="2.11791"
                           xFract="0.2509372"
                           y3="-0.00201"
                           yFract="-0.00023815"
                           z3="4.19827"
                           zFract="0.18894104"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.23196"
                           xFract="0.50141706"
                           y3="4.2153"
                           yFract="0.49944313"
                           z3="6.42003"
                           zFract="0.28893024"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.0096"
                           xFract="-0.00113744"
                           y3="6.35755"
                           yFract="0.75326422"
                           z3="4.19949"
                           zFract="0.18899595"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.22067"
                           xFract="0.50007938"
                           y3="8.41979"
                           yFract="0.99760545"
                           z3="6.3569"
                           zFract="0.28608911"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32367"
                           xFract="0.74925"
                           y3="8.41985"
                           yFract="0.99761256"
                           z3="4.22885"
                           zFract="0.19031728"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.26308"
                           xFract="0.50510427"
                           y3="2.11797"
                           yFract="0.25094431"
                           z3="8.54876"
                           zFract="0.38473267"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.11046"
                           xFract="0.2500545"
                           y3="4.21552"
                           yFract="0.49946919"
                           z3="4.23464"
                           zFract="0.19057786"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00065"
                           xFract="-0.00007701"
                           y3="-0.00851"
                           yFract="-0.00100829"
                           z3="6.36656"
                           zFract="0.28652385"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.15111"
                           xFract="0.25487085"
                           y3="0.11021"
                           yFract="0.01305806"
                           z3="8.48525"
                           zFract="0.38187444"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="6.30086"
                           xFract="0.74654739"
                           y3="2.11689"
                           yFract="0.25081635"
                           z3="6.35196"
                           zFract="0.28586679"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02686"
                           xFract="0.00318246"
                           y3="2.13253"
                           yFract="0.25266943"
                           z3="6.35978"
                           zFract="0.28621872"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.13909"
                           xFract="0.25344668"
                           y3="-0.0442"
                           yFract="-0.00523697"
                           z3="6.40052"
                           zFract="0.28805221"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.42991"
                           xFract="0.9988045"
                           y3="0.06452"
                           yFract="0.00764455"
                           z3="4.25276"
                           zFract="0.19139334"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01836"
                           xFract="0.00217536"
                           y3="8.40739"
                           yFract="0.99613626"
                           z3="8.55582"
                           zFract="0.38505041"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11606"
                           xFract="0.25071801"
                           y3="2.18975"
                           yFract="0.25944905"
                           z3="4.23623"
                           zFract="0.19064941"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07954"
                           xFract="0.246391"
                           y3="2.13401"
                           yFract="0.25284479"
                           z3="8.49985"
                           zFract="0.3825315"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20491"
                           xFract="0.49821209"
                           y3="2.13493"
                           yFract="0.25295379"
                           z3="6.31712"
                           zFract="0.28429883"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.29594"
                           xFract="0.74596445"
                           y3="8.3938"
                           yFract="0.99452607"
                           z3="6.36728"
                           zFract="0.28655626"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23241"
                           xFract="0.50147038"
                           y3="0.01444"
                           yFract="0.0017109"
                           z3="4.18799"
                           zFract="0.1884784"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21046"
                           xFract="0.49886967"
                           y3="8.38742"
                           yFract="0.99377014"
                           z3="8.72511"
                           zFract="0.39266922"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32579"
                           xFract="0.74950118"
                           y3="2.2396"
                           yFract="0.26535545"
                           z3="4.2011"
                           zFract="0.18906841"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35094"
                           xFract="0.75248104"
                           y3="2.05824"
                           yFract="0.2438673"
                           z3="8.53713"
                           zFract="0.38420927"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03842"
                           xFract="0.00455213"
                           y3="6.32066"
                           yFract="0.74889336"
                           z3="6.36613"
                           zFract="0.2865045"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06506"
                           xFract="0.24467536"
                           y3="4.27091"
                           yFract="0.50603199"
                           z3="6.45324"
                           zFract="0.29042484"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.33014"
                           xFract="0.98698341"
                           y3="4.18875"
                           yFract="0.49629739"
                           z3="4.30406"
                           zFract="0.19370207"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00602"
                           xFract="0.00071327"
                           y3="4.22038"
                           yFract="0.50004502"
                           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="2.22784"
                           xFract="0.26396209"
                           y3="6.23724"
                           yFract="0.73900948"
                           z3="4.1959"
                           zFract="0.18883438"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16463"
                           xFract="0.25647275"
                           y3="6.22601"
                           yFract="0.73767891"
                           z3="8.9136"
                           zFract="0.40115212"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.16808"
                           xFract="0.49384834"
                           y3="6.28059"
                           yFract="0.74414573"
                           z3="6.44403"
                           zFract="0.29001035"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.34625"
                           xFract="0.75192536"
                           y3="4.24938"
                           yFract="0.50348104"
                           z3="6.44456"
                           zFract="0.2900342"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31803"
                           xFract="0.51161493"
                           y3="4.18108"
                           yFract="0.49538863"
                           z3="4.19131"
                           zFract="0.18862781"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21976"
                           xFract="0.49997156"
                           y3="4.21122"
                           yFract="0.49895972"
                           z3="8.76793"
                           zFract="0.39459631"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.22944"
                           xFract="0.73808531"
                           y3="6.17662"
                           yFract="0.73182701"
                           z3="4.30028"
                           zFract="0.19353195"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34511"
                           xFract="0.75179028"
                           y3="6.33178"
                           yFract="0.7502109"
                           z3="8.49674"
                           zFract="0.38239154"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a71" order="S"/>
                     <bond atomRefs2="a2 a50" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a64" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a70" order="S"/>
                     <bond atomRefs2="a4 a63" order="S"/>
                     <bond atomRefs2="a4 a68" order="S"/>
                     <bond atomRefs2="a4 a48" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a80" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a77" order="S"/>
                     <bond atomRefs2="a6 a52" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a59" order="S"/>
                     <bond atomRefs2="a6 a76" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a59" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a8 a55" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a75" order="S"/>
                     <bond atomRefs2="a8 a80" order="S"/>
                     <bond atomRefs2="a8 a73" order="S"/>
                     <bond atomRefs2="a9 a61" order="S"/>
                     <bond atomRefs2="a9 a75" order="S"/>
                     <bond atomRefs2="a9 a81" order="S"/>
                     <bond atomRefs2="a9 a78" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a60" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a52" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a51" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a16 a70" order="S"/>
                     <bond atomRefs2="a16 a36" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a76" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a79" order="S"/>
                     <bond atomRefs2="a19 a74" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
                     <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                     <bond atomRefs2="a22 a57" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a66" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a53" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a65" order="S"/>
                     <bond atomRefs2="a26 a62" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a73" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a29 a56" order="S"/>
                     <bond atomRefs2="a29 a52" order="S"/>
                     <bond atomRefs2="a29 a54" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a76" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a72" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a35 a46" order="S"/>
                     <bond atomRefs2="a35 a44" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a70" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a77" order="S"/>
                     <bond atomRefs2="a37 a45" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a75" order="S"/>
                     <bond atomRefs2="a41 a53" 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 0.005 0.003 0.004 0.005 0.003 0.004 -0.000 0.005 -0.002 0.007 0.003 0.002 0.001 0.002 0.001 0.003 0.003 0.001 -0.001 -0.000 -0.002 -0.002 0.003 -0.001 0.012 0.004 -0.003 -0.003 0.005 -0.000 -0.001 -0.003 -0.006 -0.003 0.003 -0.001 0.006 -0.001 -0.001 0.007 0.015 0.004 0.001 0.001 -0.002 0.001 0.004 0.008 0.005 0.000 0.012 -0.002 0.001 0.005 0.006 0.001 0.001 0.008 0.007 0.004 -0.001 0.007 0.004 0.002 -0.001 0.008 0.007 -0.004 0.001 0.003 0.006 0.011 0.010 0.017 0.004 0.005 0.005 -0.004 0.009 0.013</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="81">0.000 0.003 -0.003 0.012 0.001 0.006 0.003 -0.003 0.010 -0.005 0.011 0.003 0.001 0.001 0.002 0.002 0.002 0.003 0.002 0.001 -0.001 -0.001 -0.001 -0.000 -0.002 0.009 0.004 0.002 -0.002 0.005 0.001 0.000 -0.003 0.005 0.006 0.003 0.003 0.004 -0.002 -0.002 0.007 0.175 0.054 0.025 0.022 -0.039 -0.057 0.050 0.097 0.037 0.004 0.195 0.044 0.020 0.055 0.093 0.056 0.025 0.095 0.048 0.051 -0.110 0.130 0.070 0.042 -0.001 0.079 0.096 -0.103 -0.021 0.027 0.033 0.180 0.150 0.224 0.049 0.057 0.084 -0.096 0.057 0.177</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="81">0.000 1.370 1.362 1.413 1.038 1.375 1.363 1.445 1.461 1.295 -1.238 0.001 0.000 0.001 0.001 0.000 0.001 0.001 0.001 0.001 -0.001 -0.411 0.538 -0.458 0.459 -0.224 -0.472 0.471 0.578 -0.418 -0.399 0.000 -0.002 0.027 0.022 -0.002 0.009 -0.002 -0.001 -0.003 0.008 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="81">0.000 1.377 1.363 1.429 1.044 1.384 1.371 1.441 1.476 1.288 -1.220 0.007 0.003 0.003 0.005 0.003 0.006 0.007 0.003 0.001 -0.002 -0.414 0.534 -0.455 0.457 -0.203 -0.464 0.470 0.574 -0.407 -0.399 -0.000 -0.008 0.026 0.025 0.003 0.011 0.008 -0.004 -0.006 0.022 0.190 0.059 0.027 0.023 -0.041 -0.056 0.053 0.105 0.042 0.004 0.207 0.043 0.022 0.060 0.099 0.057 0.026 0.103 0.055 0.055 -0.111 0.137 0.074 0.045 -0.002 0.087 0.103 -0.107 -0.020 0.031 0.039 0.191 0.160 0.241 0.053 0.062 0.089 -0.100 0.066 0.190</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.244</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">2.265</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">10.610</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">13.118</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-425.50040629</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-425.48995197</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-425.49517913</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.9203</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2806285E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="2.04905"
                        xFract="0.24277844"
                        y3="6.34599"
                        yFract="0.75189455"
                        z3="9.87549"
                        zFract="0.44444149"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="4.24548"
                        xFract="0.50301896"
                        y3="6.32122"
                        yFract="0.74895972"
                        z3="4.23465"
                        zFract="0.19057831"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="-0.09126"
                        xFract="-0.0108128"
                        y3="6.29843"
                        yFract="0.74625948"
                        z3="8.46583"
                        zFract="0.38100045"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.31655"
                        xFract="0.7484064"
                        y3="4.21929"
                        yFract="0.49991588"
                        z3="4.22851"
                        zFract="0.19030198"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="6.32084"
                        xFract="0.74891469"
                        y3="6.2998"
                        yFract="0.7464218"
                        z3="6.35162"
                        zFract="0.28585149"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="6.29679"
                        xFract="0.74606517"
                        y3="4.19994"
                        yFract="0.49762322"
                        z3="8.52399"
                        zFract="0.38361791"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="8.43099"
                        xFract="0.99893246"
                        y3="2.1315"
                        yFract="0.25254739"
                        z3="4.23634"
                        zFract="0.19065437"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="4.22769"
                        xFract="0.50091114"
                        y3="2.09939"
                        yFract="0.24874289"
                        z3="4.2039"
                        zFract="0.18919442"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.32496"
                        xFract="0.51243602"
                        y3="6.2842"
                        yFract="0.74457346"
                        z3="8.49063"
                        zFract="0.38211656"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="6.31617"
                        xFract="0.74836137"
                        y3="-0.01912"
                        yFract="-0.0022654"
                        z3="8.44942"
                        zFract="0.38026193"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.14128"
                        xFract="0.25370616"
                        y3="2.10519"
                        yFract="0.24943009"
                        z3="6.31559"
                        zFract="0.28422997"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.13063"
                        xFract="0.25244431"
                        y3="4.13791"
                        yFract="0.4902737"
                        z3="8.48238"
                        zFract="0.38174527"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.12322"
                        xFract="0.25156635"
                        y3="6.33888"
                        yFract="0.75105213"
                        z3="6.1825"
                        zFract="0.27824032"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="8.40922"
                        xFract="0.99635308"
                        y3="2.11956"
                        yFract="0.2511327"
                        z3="8.45256"
                        zFract="0.38040324"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="8.4066"
                        xFract="0.99604265"
                        y3="4.24339"
                        yFract="0.50277133"
                        z3="6.39073"
                        zFract="0.28761161"/>
                  <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="2.11791"
                        xFract="0.2509372"
                        y3="-0.00201"
                        yFract="-0.00023815"
                        z3="4.19827"
                        zFract="0.18894104"/>
                  <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="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.23196"
                        xFract="0.50141706"
                        y3="4.2153"
                        yFract="0.49944313"
                        z3="6.42003"
                        zFract="0.28893024"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="-0.0096"
                        xFract="-0.00113744"
                        y3="6.35755"
                        yFract="0.75326422"
                        z3="4.19949"
                        zFract="0.18899595"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.22067"
                        xFract="0.50007938"
                        y3="8.41979"
                        yFract="0.99760545"
                        z3="6.3569"
                        zFract="0.28608911"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.32367"
                        xFract="0.74925"
                        y3="8.41985"
                        yFract="0.99761256"
                        z3="4.22885"
                        zFract="0.19031728"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.26308"
                        xFract="0.50510427"
                        y3="2.11797"
                        yFract="0.25094431"
                        z3="8.54876"
                        zFract="0.38473267"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="2.11046"
                        xFract="0.2500545"
                        y3="4.21552"
                        yFract="0.49946919"
                        z3="4.23464"
                        zFract="0.19057786"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="-0.00065"
                        xFract="-0.00007701"
                        y3="-0.00851"
                        yFract="-0.00100829"
                        z3="6.36656"
                        zFract="0.28652385"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.15111"
                        xFract="0.25487085"
                        y3="0.11021"
                        yFract="0.01305806"
                        z3="8.48525"
                        zFract="0.38187444"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="6.30086"
                        xFract="0.74654739"
                        y3="2.11689"
                        yFract="0.25081635"
                        z3="6.35196"
                        zFract="0.28586679"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a43"
                        x3="0.02686"
                        xFract="0.00318246"
                        y3="2.13253"
                        yFract="0.25266943"
                        z3="6.35978"
                        zFract="0.28621872"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a45"
                        x3="2.13909"
                        xFract="0.25344668"
                        y3="-0.0442"
                        yFract="-0.00523697"
                        z3="6.40052"
                        zFract="0.28805221"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="8.42991"
                        xFract="0.9988045"
                        y3="0.06452"
                        yFract="0.00764455"
                        z3="4.25276"
                        zFract="0.19139334"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.01836"
                        xFract="0.00217536"
                        y3="8.40739"
                        yFract="0.99613626"
                        z3="8.55582"
                        zFract="0.38505041"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.11606"
                        xFract="0.25071801"
                        y3="2.18975"
                        yFract="0.25944905"
                        z3="4.23623"
                        zFract="0.19064941"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.07954"
                        xFract="0.246391"
                        y3="2.13401"
                        yFract="0.25284479"
                        z3="8.49985"
                        zFract="0.3825315"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a53"
                        x3="4.20491"
                        xFract="0.49821209"
                        y3="2.13493"
                        yFract="0.25295379"
                        z3="6.31712"
                        zFract="0.28429883"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a55"
                        x3="6.29594"
                        xFract="0.74596445"
                        y3="8.3938"
                        yFract="0.99452607"
                        z3="6.36728"
                        zFract="0.28655626"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.23241"
                        xFract="0.50147038"
                        y3="0.01444"
                        yFract="0.0017109"
                        z3="4.18799"
                        zFract="0.1884784"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.21046"
                        xFract="0.49886967"
                        y3="8.38742"
                        yFract="0.99377014"
                        z3="8.72511"
                        zFract="0.39266922"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.32579"
                        xFract="0.74950118"
                        y3="2.2396"
                        yFract="0.26535545"
                        z3="4.2011"
                        zFract="0.18906841"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.35094"
                        xFract="0.75248104"
                        y3="2.05824"
                        yFract="0.2438673"
                        z3="8.53713"
                        zFract="0.38420927"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a63"
                        x3="0.03842"
                        xFract="0.00455213"
                        y3="6.32066"
                        yFract="0.74889336"
                        z3="6.36613"
                        zFract="0.2865045"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a65"
                        x3="2.06506"
                        xFract="0.24467536"
                        y3="4.27091"
                        yFract="0.50603199"
                        z3="6.45324"
                        zFract="0.29042484"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="8.33014"
                        xFract="0.98698341"
                        y3="4.18875"
                        yFract="0.49629739"
                        z3="4.30406"
                        zFract="0.19370207"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.00602"
                        xFract="0.00071327"
                        y3="4.22038"
                        yFract="0.50004502"
                        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="2.22784"
                        xFract="0.26396209"
                        y3="6.23724"
                        yFract="0.73900948"
                        z3="4.1959"
                        zFract="0.18883438"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.16463"
                        xFract="0.25647275"
                        y3="6.22601"
                        yFract="0.73767891"
                        z3="8.9136"
                        zFract="0.40115212"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a73"
                        x3="4.16808"
                        xFract="0.49384834"
                        y3="6.28059"
                        yFract="0.74414573"
                        z3="6.44403"
                        zFract="0.29001035"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a75"
                        x3="6.34625"
                        xFract="0.75192536"
                        y3="4.24938"
                        yFract="0.50348104"
                        z3="6.44456"
                        zFract="0.2900342"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.31803"
                        xFract="0.51161493"
                        y3="4.18108"
                        yFract="0.49538863"
                        z3="4.19131"
                        zFract="0.18862781"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.21976"
                        xFract="0.49997156"
                        y3="4.21122"
                        yFract="0.49895972"
                        z3="8.76793"
                        zFract="0.39459631"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.22944"
                        xFract="0.73808531"
                        y3="6.17662"
                        yFract="0.73182701"
                        z3="4.30028"
                        zFract="0.19353195"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.34511"
                        xFract="0.75179028"
                        y3="6.33178"
                        yFract="0.7502109"
                        z3="8.49674"
                        zFract="0.38239154"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a71" order="S"/>
                  <bond atomRefs2="a2 a50" order="S"/>
                  <bond atomRefs2="a2 a49" order="S"/>
                  <bond atomRefs2="a2 a44" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a2 a64" order="S"/>
                  <bond atomRefs2="a2 a52" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a3 a77" order="S"/>
                  <bond atomRefs2="a3 a70" order="S"/>
                  <bond atomRefs2="a4 a63" order="S"/>
                  <bond atomRefs2="a4 a68" order="S"/>
                  <bond atomRefs2="a4 a48" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a80" order="S"/>
                  <bond atomRefs2="a5 a67" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a5 a77" order="S"/>
                  <bond atomRefs2="a6 a52" order="S"/>
                  <bond atomRefs2="a6 a56" order="S"/>
                  <bond atomRefs2="a6 a59" order="S"/>
                  <bond atomRefs2="a6 a76" order="S"/>
                  <bond atomRefs2="a6 a49" order="S"/>
                  <bond atomRefs2="a7 a60" order="S"/>
                  <bond atomRefs2="a7 a59" order="S"/>
                  <bond atomRefs2="a7 a54" order="S"/>
                  <bond atomRefs2="a7 a52" order="S"/>
                  <bond atomRefs2="a7 a74" order="S"/>
                  <bond atomRefs2="a8 a55" order="S"/>
                  <bond atomRefs2="a8 a81" order="S"/>
                  <bond atomRefs2="a8 a75" order="S"/>
                  <bond atomRefs2="a8 a80" order="S"/>
                  <bond atomRefs2="a8 a73" order="S"/>
                  <bond atomRefs2="a9 a61" order="S"/>
                  <bond atomRefs2="a9 a75" order="S"/>
                  <bond atomRefs2="a9 a81" order="S"/>
                  <bond atomRefs2="a9 a78" order="S"/>
                  <bond atomRefs2="a10 a67" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a10 a60" order="S"/>
                  <bond atomRefs2="a11 a60" order="S"/>
                  <bond atomRefs2="a11 a57" order="S"/>
                  <bond atomRefs2="a11 a77" order="S"/>
                  <bond atomRefs2="a11 a52" order="S"/>
                  <bond atomRefs2="a11 a50" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a12 a81" order="S"/>
                  <bond atomRefs2="a12 a73" order="S"/>
                  <bond atomRefs2="a12 a58" order="S"/>
                  <bond atomRefs2="a12 a71" order="S"/>
                  <bond atomRefs2="a12 a78" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a61" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a39" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a15 a51" order="S"/>
                  <bond atomRefs2="a15 a78" order="S"/>
                  <bond atomRefs2="a15 a71" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a68" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a16 a65" order="S"/>
                  <bond atomRefs2="a16 a63" order="S"/>
                  <bond atomRefs2="a16 a70" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a17 a72" order="S"/>
                  <bond atomRefs2="a17 a76" order="S"/>
                  <bond atomRefs2="a17 a79" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a69" order="S"/>
                  <bond atomRefs2="a18 a61" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a79" order="S"/>
                  <bond atomRefs2="a19 a74" order="S"/>
                  <bond atomRefs2="a19 a76" order="S"/>
                  <bond atomRefs2="a19 a59" order="S"/>
                  <bond atomRefs2="a20 a75" order="S"/>
                  <bond atomRefs2="a20 a67" 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 a44" order="S"/>
                  <bond atomRefs2="a22 a57" order="S"/>
                  <bond atomRefs2="a23 a62" order="S"/>
                  <bond atomRefs2="a23 a66" order="S"/>
                  <bond atomRefs2="a23 a64" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a24 a62" order="S"/>
                  <bond atomRefs2="a24 a66" order="S"/>
                  <bond atomRefs2="a24 a69" order="S"/>
                  <bond atomRefs2="a25 a75" order="S"/>
                  <bond atomRefs2="a25 a53" order="S"/>
                  <bond atomRefs2="a25 a73" order="S"/>
                  <bond atomRefs2="a25 a65" order="S"/>
                  <bond atomRefs2="a26 a62" order="S"/>
                  <bond atomRefs2="a26 a63" order="S"/>
                  <bond atomRefs2="a27 a69" order="S"/>
                  <bond atomRefs2="a27 a70" order="S"/>
                  <bond atomRefs2="a27 a64" order="S"/>
                  <bond atomRefs2="a27 a62" order="S"/>
                  <bond atomRefs2="a27 a72" order="S"/>
                  <bond atomRefs2="a28 a55" order="S"/>
                  <bond atomRefs2="a28 a73" order="S"/>
                  <bond atomRefs2="a29 a57" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a29 a52" order="S"/>
                  <bond atomRefs2="a29 a54" order="S"/>
                  <bond atomRefs2="a29 a44" order="S"/>
                  <bond atomRefs2="a30 a79" order="S"/>
                  <bond atomRefs2="a30 a74" order="S"/>
                  <bond atomRefs2="a30 a72" order="S"/>
                  <bond atomRefs2="a31 a55" order="S"/>
                  <bond atomRefs2="a32 a69" order="S"/>
                  <bond atomRefs2="a32 a64" order="S"/>
                  <bond atomRefs2="a32 a66" order="S"/>
                  <bond atomRefs2="a32 a49" order="S"/>
                  <bond atomRefs2="a32 a76" order="S"/>
                  <bond atomRefs2="a33 a61" order="S"/>
                  <bond atomRefs2="a33 a53" order="S"/>
                  <bond atomRefs2="a33 a78" order="S"/>
                  <bond atomRefs2="a33 a51" order="S"/>
                  <bond atomRefs2="a34 a76" order="S"/>
                  <bond atomRefs2="a34 a72" order="S"/>
                  <bond atomRefs2="a34 a74" order="S"/>
                  <bond atomRefs2="a34 a77" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a34 a64" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a46" order="S"/>
                  <bond atomRefs2="a35 a44" order="S"/>
                  <bond atomRefs2="a36 a50" order="S"/>
                  <bond atomRefs2="a36 a70" order="S"/>
                  <bond atomRefs2="a36 a64" order="S"/>
                  <bond atomRefs2="a36 a65" order="S"/>
                  <bond atomRefs2="a36 a77" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a66" order="S"/>
                  <bond atomRefs2="a39 a45" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a40 a59" order="S"/>
                  <bond atomRefs2="a40 a54" order="S"/>
                  <bond atomRefs2="a40 a56" order="S"/>
                  <bond atomRefs2="a41 a61" order="S"/>
                  <bond atomRefs2="a41 a60" order="S"/>
                  <bond atomRefs2="a41 a75" order="S"/>
                  <bond atomRefs2="a41 a53" 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>
