<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">6.4.3</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">19Mar24 (build Mar  3 2025 08:59:24) complex</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Mg"
                        id="a1"
                        x3="0.05964026"
                        xFract="0.00622681"
                        y3="15.72750725"
                        yFract="0.9950214"
                        z3="26.14742084"
                        zFract="0.67018377"/>
                  <atom elementType="Mg"
                        id="a2"
                        x3="0.11197569"
                        xFract="0.01169095"
                        y3="10.31763109"
                        yFract="0.65275848"
                        z3="27.46824598"
                        zFract="0.7040378"/>
                  <atom elementType="Mg"
                        id="a3"
                        x3="2.48781987"
                        xFract="0.25974369"
                        y3="6.15769578"
                        yFract="0.38957471"
                        z3="20.28164371"
                        zFract="0.51983821"/>
                  <atom elementType="Mg"
                        id="a4"
                        x3="2.55032222"
                        xFract="0.26626932"
                        y3="1.77463478"
                        yFract="0.1122746"
                        z3="24.30700906"
                        zFract="0.62301223"/>
                  <atom elementType="Mg"
                        id="a5"
                        x3="0.14429572"
                        xFract="0.01506536"
                        y3="4.20503846"
                        yFract="0.26603728"
                        z3="22.85447412"
                        zFract="0.58578235"/>
                  <atom elementType="Mg"
                        id="a6"
                        x3="0.0883607"
                        xFract="0.0092254"
                        y3="8.78767739"
                        yFract="0.55596395"
                        z3="18.7914278"
                        zFract="0.48164253"/>
                  <atom elementType="Mg"
                        id="a7"
                        x3="2.4272446"
                        xFract="0.25341926"
                        y3="0.96744171"
                        yFract="0.06120647"
                        z3="18.79116952"
                        zFract="0.48163591"/>
                  <atom elementType="Mg"
                        id="a8"
                        x3="2.42945846"
                        xFract="0.2536504"
                        y3="12.16132821"
                        yFract="0.7694024"
                        z3="22.70296757"
                        zFract="0.58189909"/>
                  <atom elementType="Mg"
                        id="a9"
                        x3="4.78360593"
                        xFract="0.49943787"
                        y3="9.56808417"
                        yFract="0.60533741"
                        z3="24.08544741"
                        zFract="0.61733339"/>
                  <atom elementType="Mg"
                        id="a10"
                        x3="4.81924933"
                        xFract="0.50315926"
                        y3="14.14194339"
                        yFract="0.89470862"
                        z3="20.27721275"
                        zFract="0.51972464"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="2.43488649"
                        xFract="0.25421712"
                        y3="6.75233198"
                        yFract="0.42719515"
                        z3="23.41793386"
                        zFract="0.60022437"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.45529592"
                        xFract="0.25634799"
                        y3="11.46572043"
                        yFract="0.72539386"
                        z3="19.53340634"
                        zFract="0.50066016"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="0.06372498"
                        xFract="0.00665328"
                        y3="3.56470716"
                        yFract="0.22552588"
                        z3="19.53709836"
                        zFract="0.50075479"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="0.07054374"
                        xFract="0.0073652"
                        y3="14.74267478"
                        yFract="0.93271468"
                        z3="23.36465808"
                        zFract="0.59885886"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.4065192"
                        xFract="0.2512554"
                        y3="7.59640535"
                        yFract="0.48059656"
                        z3="26.30282346"
                        zFract="0.67416689"/>
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                        id="a16"
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                        xFract="0.28264615"
                        y3="4.46509628"
                        yFract="0.28249018"
                        z3="25.87731285"
                        zFract="0.66326064"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.08335745"
                        xFract="0.00870303"
                        y3="1.30534222"
                        yFract="0.08258419"
                        z3="21.53419091"
                        zFract="0.55194221"/>
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                        id="a18"
                        x3="0.0430353"
                        xFract="0.00449315"
                        y3="12.6243631"
                        yFract="0.79869691"
                        z3="25.66017866"
                        zFract="0.65769528"/>
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                        id="a19"
                        x3="2.52075203"
                        xFract="0.26318201"
                        y3="15.31686676"
                        yFract="0.96904169"
                        z3="12.74446011"
                        zFract="0.32665288"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.45224926"
                        xFract="0.2560299"
                        y3="10.74901137"
                        yFract="0.68005032"
                        z3="16.37051712"
                        zFract="0.41959224"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="0.11140149"
                        xFract="0.011631"
                        y3="13.37558848"
                        yFract="0.84622417"
                        z3="15.01967088"
                        zFract="0.38496874"/>
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                        id="a22"
                        x3="2.36234862"
                        xFract="0.24664372"
                        y3="5.35418855"
                        yFract="0.33873977"
                        z3="14.76989571"
                        zFract="0.37856676"/>
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                        id="a23"
                        x3="4.77045144"
                        xFract="0.49806446"
                        y3="2.92567688"
                        yFract="0.18509679"
                        z3="16.22401545"
                        zFract="0.41583726"/>
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                        id="a24"
                        x3="0.05433387"
                        xFract="0.00567279"
                        y3="7.21400374"
                        yFract="0.45640342"
                        z3="12.90950731"
                        zFract="0.3308832"/>
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                        id="a25"
                        x3="2.47923216"
                        xFract="0.25884708"
                        y3="0.36748972"
                        yFract="0.02324972"
                        z3="15.64913476"
                        zFract="0.40110251"/>
                  <atom elementType="Mg"
                        id="a26"
                        x3="0.06107006"
                        xFract="0.00637609"
                        y3="12.59186476"
                        yFract="0.79664086"
                        z3="11.5380688"
                        zFract="0.2957319"/>
                  <atom elementType="Mg"
                        id="a27"
                        x3="0.04862836"
                        xFract="0.0050771"
                        y3="8.18523387"
                        yFract="0.51784957"
                        z3="15.69697688"
                        zFract="0.40232875"/>
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                        id="a28"
                        x3="2.45617757"
                        xFract="0.25644004"
                        y3="13.78776723"
                        yFract="0.8723012"
                        z3="17.59535135"
                        zFract="0.45098593"/>
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                        id="a29"
                        x3="2.20727087"
                        xFract="0.23045265"
                        y3="2.64789224"
                        yFract="0.16752238"
                        z3="13.1967044"
                        zFract="0.33824434"/>
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                        zFract="0.55036663"/>
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                        xFract="0.00801434"
                        y3="10.29483175"
                        yFract="0.65131605"
                        z3="13.38357832"
                        zFract="0.3430341"/>
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                        id="a32"
                        x3="7.15538886"
                        xFract="0.74706659"
                        y3="7.64007709"
                        yFract="0.48335951"
                        z3="26.31293428"
                        zFract="0.67442604"/>
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                        xFract="0.50801789"
                        y3="10.29475446"
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                        z3="13.38351434"
                        zFract="0.34303246"/>
                  <atom elementType="Mg"
                        id="a34"
                        x3="4.79195209"
                        xFract="0.50030926"
                        y3="10.41660461"
                        yFract="0.65902017"
                        z3="27.57347805"
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                        yFract="0.3898473"
                        z3="20.282298"
                        zFract="0.51985498"/>
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                        y3="1.78059562"
                        yFract="0.11265172"
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                        zFract="0.62279866"/>
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                        id="a37"
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                        xFract="0.5152826"
                        y3="4.19713709"
                        yFract="0.26553739"
                        z3="22.84097053"
                        zFract="0.58543624"/>
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                        id="a38"
                        x3="4.8787737"
                        xFract="0.50937397"
                        y3="8.78784588"
                        yFract="0.55597461"
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                  <bond atomRefs2="a66 a222" order="S"/>
                  <bond atomRefs2="a67 a214" order="S"/>
                  <bond atomRefs2="a68 a213" order="S"/>
                  <bond atomRefs2="a69 a212" order="S"/>
                  <bond atomRefs2="a70 a211" order="S"/>
                  <bond atomRefs2="a71 a210" order="S"/>
                  <bond atomRefs2="a72 a214" order="S"/>
                  <bond atomRefs2="a76 a213" order="S"/>
                  <bond atomRefs2="a77 a212" order="S"/>
                  <bond atomRefs2="a78 a198" order="S"/>
                  <bond atomRefs2="a79 a197" order="S"/>
                  <bond atomRefs2="a80 a216" order="S"/>
                  <bond atomRefs2="a81 a209" order="S"/>
                  <bond atomRefs2="a82 a215" order="S"/>
                  <bond atomRefs2="a83 a220" order="S"/>
                  <bond atomRefs2="a84 a217" order="S"/>
                  <bond atomRefs2="a85 a216" order="S"/>
                  <bond atomRefs2="a86 a213" order="S"/>
                  <bond atomRefs2="a87 a212" order="S"/>
                  <bond atomRefs2="a88 a215" order="S"/>
                  <bond atomRefs2="a89 a195" order="S"/>
                  <bond atomRefs2="a90 a212" order="S"/>
                  <bond atomRefs2="a91 a209" order="S"/>
                  <bond atomRefs2="a92 a211" order="S"/>
                  <bond atomRefs2="a93 a218" order="S"/>
                  <bond atomRefs2="a94 a209" order="S"/>
                  <bond atomRefs2="a95 a223" order="S"/>
                  <bond atomRefs2="a96 a211" order="S"/>
                  <bond atomRefs2="a97 a210" order="S"/>
                  <bond atomRefs2="a98 a223" order="S"/>
                  <bond atomRefs2="a99 a205" order="S"/>
                  <bond atomRefs2="a100 a223" order="S"/>
                  <bond atomRefs2="a101 a213" order="S"/>
                  <bond atomRefs2="a102 a194" order="S"/>
                  <bond atomRefs2="a103 a194" order="S"/>
                  <bond atomRefs2="a104 a224" order="S"/>
                  <bond atomRefs2="a105 a201" order="S"/>
                  <bond atomRefs2="a107 a193" order="S"/>
                  <bond atomRefs2="a108 a206" order="S"/>
                  <bond atomRefs2="a109 a203" order="S"/>
                  <bond atomRefs2="a110 a193" order="S"/>
                  <bond atomRefs2="a111 a203" order="S"/>
                  <bond atomRefs2="a112 a204" order="S"/>
                  <bond atomRefs2="a114 a224" order="S"/>
                  <bond atomRefs2="a115 a201" order="S"/>
                  <bond atomRefs2="a116 a204" order="S"/>
                  <bond atomRefs2="a117 a210" order="S"/>
                  <bond atomRefs2="a118 a201" order="S"/>
                  <bond atomRefs2="a119 a205" order="S"/>
                  <bond atomRefs2="a120 a215" order="S"/>
                  <bond atomRefs2="a121 a223" order="S"/>
                  <bond atomRefs2="a122 a202" order="S"/>
                  <bond atomRefs2="a123 a199" order="S"/>
                  <bond atomRefs2="a124 a200" order="S"/>
                  <bond atomRefs2="a125 a203" order="S"/>
                  <bond atomRefs2="a126 a193" order="S"/>
                  <bond atomRefs2="a127 a204" order="S"/>
                  <bond atomRefs2="a129 a201" order="S"/>
                  <bond atomRefs2="a130 a206" order="S"/>
                  <bond atomRefs2="a131 a221" order="S"/>
                  <bond atomRefs2="a132 a222" order="S"/>
                  <bond atomRefs2="a133 a204" order="S"/>
                  <bond atomRefs2="a135 a193" order="S"/>
                  <bond atomRefs2="a136 a206" order="S"/>
                  <bond atomRefs2="a137 a220" order="S"/>
                  <bond atomRefs2="a138 a198" order="S"/>
                  <bond atomRefs2="a139 a197" order="S"/>
                  <bond atomRefs2="a140 a206" order="S"/>
                  <bond atomRefs2="a141 a199" order="S"/>
                  <bond atomRefs2="a142 a202" order="S"/>
                  <bond atomRefs2="a143 a200" order="S"/>
                  <bond atomRefs2="a144 a224" order="S"/>
                  <bond atomRefs2="a145 a207" order="S"/>
                  <bond atomRefs2="a146 a200" order="S"/>
                  <bond atomRefs2="a147 a199" order="S"/>
                  <bond atomRefs2="a148 a208" order="S"/>
                  <bond atomRefs2="a149 a195" order="S"/>
                  <bond atomRefs2="a150 a198" order="S"/>
                  <bond atomRefs2="a152 a203" order="S"/>
                  <bond atomRefs2="a153 a215" order="S"/>
                  <bond atomRefs2="a154 a214" order="S"/>
                  <bond atomRefs2="a155 a200" order="S"/>
                  <bond atomRefs2="a156 a199" order="S"/>
                  <bond atomRefs2="a159 a196" order="S"/>
                  <bond atomRefs2="a160 a195" order="S"/>
                  <bond atomRefs2="a161 a197" order="S"/>
                  <bond atomRefs2="a162 a197" order="S"/>
                  <bond atomRefs2="a163 a196" order="S"/>
                  <bond atomRefs2="a164 a207" order="S"/>
                  <bond atomRefs2="a165 a198" order="S"/>
                  <bond atomRefs2="a168 a217" order="S"/>
                  <bond atomRefs2="a169 a218" order="S"/>
                  <bond atomRefs2="a170 a219" order="S"/>
                  <bond atomRefs2="a171 a208" order="S"/>
                  <bond atomRefs2="a172 a220" order="S"/>
                  <bond atomRefs2="a173 a221" order="S"/>
                  <bond atomRefs2="a174 a221" order="S"/>
                  <bond atomRefs2="a175 a222" order="S"/>
                  <bond atomRefs2="a176 a208" order="S"/>
                  <bond atomRefs2="a178 a219" order="S"/>
                  <bond atomRefs2="a179 a205" order="S"/>
                  <bond atomRefs2="a180 a202" order="S"/>
                  <bond atomRefs2="a181 a195" order="S"/>
                  <bond atomRefs2="a182 a196" order="S"/>
                  <bond atomRefs2="a183 a207" order="S"/>
                  <bond atomRefs2="a184 a220" order="S"/>
                  <bond atomRefs2="a185 a208" order="S"/>
                  <bond atomRefs2="a186 a222" order="S"/>
                  <bond atomRefs2="a188 a217" order="S"/>
                  <bond atomRefs2="a189 a216" order="S"/>
                  <bond atomRefs2="a190 a219" order="S"/>
                  <bond atomRefs2="a191 a217" order="S"/>
                  <bond atomRefs2="a192 a216" order="S"/>
                  <bond atomRefs2="a225 a226" order="S"/>
                  <bond atomRefs2="a226 a230" order="S"/>
                  <bond atomRefs2="a226 a227" order="S"/>
                  <bond atomRefs2="a226 a228" order="S"/>
                  <bond atomRefs2="a229 a230" order="S"/>
               </bondArray>
               <formula concise="C2H2Mg64O130Si32">
                  <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4558.199400000016</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">0.0000</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">1430.0000</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">0.05</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:xc_c">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="v:libxc">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="8">PAW_PBE Mg_pv 13Apr2007|PAW_PBE O 08Apr2002|PAW_PBE Si 05Jan2001|PAW_PBE O 08Apr2002|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001|PAW_PBE O 08Apr2002|PAW_PBE C 08Apr2002</array>
                  <array dictRef="cc:atomType" size="8">Mg O Si O C H O C</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="8">24.305 16.000 28.085 16.000 12.011 1.000 16.000 12.011</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="8">8.000 6.000 4.000 6.000 4.000 1.000 6.000 4.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="8">64 128 32 1 1 2 1 1</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>
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               </module>
            </module>
            <module dictRef="cc:userDefinedModule" id="positions">
               <molecule id="calculation.position.2">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
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                           x3="0.05964"
                           xFract="0.00622678"
                           y3="15.72751"
                           yFract="0.99502157"
                           z3="26.14742"
                           zFract="0.67018375"/>
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                           xFract="0.0116914"
                           y3="10.31763"
                           yFract="0.65275841"
                           z3="27.46825"
                           zFract="0.7040379"/>
                     <atom elementType="Mg"
                           id="a3"
                           x3="2.48782"
                           xFract="0.2597437"
                           y3="6.1577"
                           yFract="0.38957498"
                           z3="20.28164"
                           zFract="0.51983811"/>
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                           xFract="0.26626909"
                           y3="1.77463"
                           yFract="0.1122743"
                           z3="24.30701"
                           zFract="0.62301225"/>
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                           xFract="0.01506581"
                           y3="4.20504"
                           yFract="0.26603738"
                           z3="22.85447"
                           zFract="0.58578224"/>
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                           id="a6"
                           x3="0.08836"
                           xFract="0.00922533"
                           y3="8.78768"
                           yFract="0.55596412"
                           z3="18.79143"
                           zFract="0.48164259"/>
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                           x3="2.42724"
                           xFract="0.25341878"
                           y3="0.96744"
                           yFract="0.06120636"
                           z3="18.79117"
                           zFract="0.48163592"/>
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                           x3="2.42946"
                           xFract="0.25365056"
                           y3="12.16133"
                           yFract="0.76940251"
                           z3="22.70297"
                           zFract="0.58189915"/>
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                           xFract="0.49943829"
                           y3="9.56808"
                           yFract="0.60533715"
                           z3="24.08545"
                           zFract="0.61733346"/>
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                           x3="4.81925"
                           xFract="0.50315933"
                           y3="14.14194"
                           yFract="0.89470841"
                           z3="20.27721"
                           zFract="0.51972457"/>
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                           id="a11"
                           x3="2.43489"
                           xFract="0.25421749"
                           y3="6.75233"
                           yFract="0.42719502"
                           z3="23.41793"
                           zFract="0.60022427"/>
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                           id="a12"
                           x3="2.4553"
                           xFract="0.25634842"
                           y3="11.46572"
                           yFract="0.72539383"
                           z3="19.53341"
                           zFract="0.50066025"/>
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                           id="a13"
                           x3="0.06372"
                           xFract="0.00665276"
                           y3="3.56471"
                           yFract="0.22552606"
                           z3="19.5371"
                           zFract="0.50075483"/>
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                           id="a14"
                           x3="0.07054"
                           xFract="0.00736481"
                           y3="14.74267"
                           yFract="0.93271438"
                           z3="23.36466"
                           zFract="0.59885891"/>
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                           id="a15"
                           x3="2.40652"
                           xFract="0.25125548"
                           y3="7.59641"
                           yFract="0.48059685"
                           z3="26.30282"
                           zFract="0.6741668"/>
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                           id="a16"
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                           y3="4.4651"
                           yFract="0.28249042"
                           z3="25.87731"
                           zFract="0.66326057"/>
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                           y3="1.30534"
                           yFract="0.08258405"
                           z3="21.53419"
                           zFract="0.55194219"/>
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                           xFract="0.00449364"
                           y3="12.62436"
                           yFract="0.79869671"
                           z3="25.66018"
                           zFract="0.65769531"/>
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                           id="a19"
                           x3="2.52075"
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                           y3="15.31687"
                           yFract="0.96904189"
                           z3="12.74446"
                           zFract="0.32665288"/>
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                           xFract="0.25602998"
                           y3="10.74901"
                           yFract="0.68005023"
                           z3="16.37052"
                           zFract="0.41959231"/>
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                           y3="13.37559"
                           yFract="0.84622427"
                           z3="15.01967"
                           zFract="0.38496872"/>
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                           id="a22"
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                           xFract="0.24664386"
                           y3="5.35419"
                           yFract="0.33873986"
                           z3="14.7699"
                           zFract="0.37856687"/>
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                           id="a23"
                           x3="4.77045"
                           xFract="0.49806431"
                           y3="2.92568"
                           yFract="0.18509699"
                           z3="16.22402"
                           zFract="0.41583738"/>
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                           id="a24"
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                           xFract="0.00567239"
                           y3="7.2140"
                           yFract="0.45640318"
                           z3="12.90951"
                           zFract="0.33088327"/>
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                           id="a25"
                           x3="2.47923"
                           xFract="0.25884685"
                           y3="0.36749"
                           yFract="0.02324974"
                           z3="15.64913"
                           zFract="0.40110239"/>
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                           id="a26"
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                           xFract="0.00637608"
                           y3="12.59186"
                           yFract="0.79664056"
                           z3="11.53807"
                           zFract="0.29573193"/>
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                           id="a27"
                           x3="0.04863"
                           xFract="0.00507727"
                           y3="8.18523"
                           yFract="0.51784932"
                           z3="15.69698"
                           zFract="0.40232883"/>
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                           id="a28"
                           x3="2.45618"
                           xFract="0.25644029"
                           y3="13.78777"
                           yFract="0.87230138"
                           z3="17.59535"
                           zFract="0.4509859"/>
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                           id="a29"
                           x3="2.20727"
                           xFract="0.23045256"
                           y3="2.64789"
                           yFract="0.16752224"
                           z3="13.1967"
                           zFract="0.33824423"/>
                     <atom elementType="Mg"
                           id="a30"
                           x3="2.45538"
                           xFract="0.25635677"
                           y3="9.14121"
                           yFract="0.57833066"
                           z3="21.47272"
                           zFract="0.55036665"/>
                     <atom elementType="Mg"
                           id="a31"
                           x3="0.07676"
                           xFract="0.00801422"
                           y3="10.29483"
                           yFract="0.65131594"
                           z3="13.38358"
                           zFract="0.34303414"/>
                     <atom elementType="Mg"
                           id="a32"
                           x3="7.15539"
                           xFract="0.74706671"
                           y3="7.64008"
                           yFract="0.48335969"
                           z3="26.31293"
                           zFract="0.67442593"/>
                     <atom elementType="Mg"
                           id="a33"
                           x3="4.86579"
                           xFract="0.50801839"
                           y3="10.29475"
                           yFract="0.65131088"
                           z3="13.38351"
                           zFract="0.34303235"/>
                     <atom elementType="Mg"
                           id="a34"
                           x3="4.79195"
                           xFract="0.50030904"
                           y3="10.4166"
                           yFract="0.65901988"
                           z3="27.57348"
                           zFract="0.70673505"/>
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                           id="a35"
                           x3="7.27144"
                           xFract="0.75918304"
                           y3="6.1620"
                           yFract="0.38984702"
                           z3="20.2823"
                           zFract="0.51985503"/>
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                           id="a36"
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                           xFract="0.76694355"
                           y3="1.7806"
                           yFract="0.112652"
                           z3="24.29868"
                           zFract="0.62279875"/>
                     <atom elementType="Mg"
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                     <bond atomRefs2="a89 a195" order="S"/>
                     <bond atomRefs2="a90 a212" order="S"/>
                     <bond atomRefs2="a91 a209" order="S"/>
                     <bond atomRefs2="a92 a211" order="S"/>
                     <bond atomRefs2="a93 a218" order="S"/>
                     <bond atomRefs2="a94 a209" order="S"/>
                     <bond atomRefs2="a95 a223" order="S"/>
                     <bond atomRefs2="a96 a211" order="S"/>
                     <bond atomRefs2="a97 a210" order="S"/>
                     <bond atomRefs2="a98 a223" order="S"/>
                     <bond atomRefs2="a99 a205" order="S"/>
                     <bond atomRefs2="a100 a223" order="S"/>
                     <bond atomRefs2="a101 a213" order="S"/>
                     <bond atomRefs2="a102 a194" order="S"/>
                     <bond atomRefs2="a103 a194" order="S"/>
                     <bond atomRefs2="a104 a224" order="S"/>
                     <bond atomRefs2="a105 a201" order="S"/>
                     <bond atomRefs2="a107 a193" order="S"/>
                     <bond atomRefs2="a108 a206" order="S"/>
                     <bond atomRefs2="a109 a203" order="S"/>
                     <bond atomRefs2="a110 a193" order="S"/>
                     <bond atomRefs2="a111 a203" order="S"/>
                     <bond atomRefs2="a112 a204" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a115 a201" order="S"/>
                     <bond atomRefs2="a116 a204" order="S"/>
                     <bond atomRefs2="a117 a210" order="S"/>
                     <bond atomRefs2="a118 a201" order="S"/>
                     <bond atomRefs2="a119 a205" order="S"/>
                     <bond atomRefs2="a120 a215" order="S"/>
                     <bond atomRefs2="a121 a223" order="S"/>
                     <bond atomRefs2="a122 a202" order="S"/>
                     <bond atomRefs2="a123 a199" order="S"/>
                     <bond atomRefs2="a124 a200" order="S"/>
                     <bond atomRefs2="a125 a203" order="S"/>
                     <bond atomRefs2="a126 a193" order="S"/>
                     <bond atomRefs2="a127 a204" order="S"/>
                     <bond atomRefs2="a129 a201" order="S"/>
                     <bond atomRefs2="a130 a206" order="S"/>
                     <bond atomRefs2="a131 a221" order="S"/>
                     <bond atomRefs2="a132 a222" order="S"/>
                     <bond atomRefs2="a133 a204" order="S"/>
                     <bond atomRefs2="a135 a193" order="S"/>
                     <bond atomRefs2="a136 a206" order="S"/>
                     <bond atomRefs2="a137 a220" order="S"/>
                     <bond atomRefs2="a138 a198" order="S"/>
                     <bond atomRefs2="a139 a197" order="S"/>
                     <bond atomRefs2="a140 a206" order="S"/>
                     <bond atomRefs2="a141 a199" order="S"/>
                     <bond atomRefs2="a142 a202" order="S"/>
                     <bond atomRefs2="a143 a200" order="S"/>
                     <bond atomRefs2="a144 a224" order="S"/>
                     <bond atomRefs2="a145 a207" order="S"/>
                     <bond atomRefs2="a146 a200" order="S"/>
                     <bond atomRefs2="a147 a199" order="S"/>
                     <bond atomRefs2="a148 a208" order="S"/>
                     <bond atomRefs2="a149 a195" order="S"/>
                     <bond atomRefs2="a150 a198" order="S"/>
                     <bond atomRefs2="a152 a203" order="S"/>
                     <bond atomRefs2="a153 a215" order="S"/>
                     <bond atomRefs2="a154 a214" order="S"/>
                     <bond atomRefs2="a155 a200" order="S"/>
                     <bond atomRefs2="a156 a199" order="S"/>
                     <bond atomRefs2="a159 a196" order="S"/>
                     <bond atomRefs2="a160 a195" order="S"/>
                     <bond atomRefs2="a161 a197" order="S"/>
                     <bond atomRefs2="a162 a197" order="S"/>
                     <bond atomRefs2="a163 a196" order="S"/>
                     <bond atomRefs2="a164 a207" order="S"/>
                     <bond atomRefs2="a165 a198" order="S"/>
                     <bond atomRefs2="a168 a217" order="S"/>
                     <bond atomRefs2="a169 a218" order="S"/>
                     <bond atomRefs2="a170 a219" order="S"/>
                     <bond atomRefs2="a171 a208" order="S"/>
                     <bond atomRefs2="a172 a220" order="S"/>
                     <bond atomRefs2="a173 a221" order="S"/>
                     <bond atomRefs2="a174 a221" order="S"/>
                     <bond atomRefs2="a175 a222" order="S"/>
                     <bond atomRefs2="a176 a208" order="S"/>
                     <bond atomRefs2="a178 a219" order="S"/>
                     <bond atomRefs2="a179 a205" order="S"/>
                     <bond atomRefs2="a180 a202" order="S"/>
                     <bond atomRefs2="a181 a195" order="S"/>
                     <bond atomRefs2="a182 a196" order="S"/>
                     <bond atomRefs2="a183 a207" order="S"/>
                     <bond atomRefs2="a184 a220" order="S"/>
                     <bond atomRefs2="a185 a208" order="S"/>
                     <bond atomRefs2="a186 a222" order="S"/>
                     <bond atomRefs2="a188 a217" order="S"/>
                     <bond atomRefs2="a189 a216" order="S"/>
                     <bond atomRefs2="a190 a219" order="S"/>
                     <bond atomRefs2="a191 a217" order="S"/>
                     <bond atomRefs2="a192 a216" order="S"/>
                     <bond atomRefs2="a225 a226" order="S"/>
                     <bond atomRefs2="a226 a230" order="S"/>
                     <bond atomRefs2="a226 a227" order="S"/>
                     <bond atomRefs2="a226 a228" order="S"/>
                     <bond atomRefs2="a229 a230" order="S"/>
                  </bondArray>
                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Mg"
                           id="a1"
                           x3="0.05963"
                           xFract="0.00622574"
                           y3="15.72751"
                           yFract="0.99502157"
                           z3="26.14746"
                           zFract="0.67018477"/>
                     <atom elementType="Mg"
                           id="a2"
                           x3="0.11185"
                           xFract="0.01167783"
                           y3="10.3176"
                           yFract="0.65275651"
                           z3="27.46824"
                           zFract="0.70403765"/>
                     <atom elementType="Mg"
                           id="a3"
                           x3="2.48782"
                           xFract="0.2597437"
                           y3="6.15769"
                           yFract="0.38957434"
                           z3="20.28163"
                           zFract="0.51983786"/>
                     <atom elementType="Mg"
                           id="a4"
                           x3="2.55032"
                           xFract="0.26626909"
                           y3="1.77463"
                           yFract="0.1122743"
                           z3="24.30701"
                           zFract="0.62301225"/>
                     <atom elementType="Mg"
                           id="a5"
                           x3="0.1443"
                           xFract="0.01506581"
                           y3="4.20503"
                           yFract="0.26603675"
                           z3="22.85447"
                           zFract="0.58578224"/>
                     <atom elementType="Mg"
                           id="a6"
                           x3="0.08836"
                           xFract="0.00922533"
                           y3="8.78768"
                           yFract="0.55596412"
                           z3="18.79142"
                           zFract="0.48164233"/>
                     <atom elementType="Mg"
                           id="a7"
                           x3="2.42725"
                           xFract="0.25341982"
                           y3="0.96744"
                           yFract="0.06120636"
                           z3="18.79117"
                           zFract="0.48163592"/>
                     <atom elementType="Mg"
                           id="a8"
                           x3="2.42949"
                           xFract="0.25365369"
                           y3="12.16137"
                           yFract="0.76940504"
                           z3="22.70291"
                           zFract="0.58189761"/>
                     <atom elementType="Mg"
                           id="a9"
                           x3="4.78364"
                           xFract="0.49944143"
                           y3="9.56803"
                           yFract="0.60533398"
                           z3="24.08538"
                           zFract="0.61733166"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="4.81925"
                           xFract="0.50315933"
                           y3="14.14195"
                           yFract="0.89470904"
                           z3="20.27721"
                           zFract="0.51972457"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.43488"
                           xFract="0.25421644"
                           y3="6.75232"
                           yFract="0.42719439"
                           z3="23.41793"
                           zFract="0.60022427"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.4553"
                           xFract="0.25634842"
                           y3="11.46572"
                           yFract="0.72539383"
                           z3="19.5334"
                           zFract="0.50066"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.06373"
                           xFract="0.0066538"
                           y3="3.56471"
                           yFract="0.22552606"
                           z3="19.5371"
                           zFract="0.50075483"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.07054"
                           xFract="0.00736481"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.36466"
                           zFract="0.59885891"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.40651"
                           xFract="0.25125444"
                           y3="7.59638"
                           yFract="0.48059496"
                           z3="26.30282"
                           zFract="0.6741668"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.70719"
                           xFract="0.28264728"
                           y3="4.46508"
                           yFract="0.28248915"
                           z3="25.87733"
                           zFract="0.66326108"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.08335"
                           xFract="0.00870225"
                           y3="1.30534"
                           yFract="0.08258405"
                           z3="21.53419"
                           zFract="0.55194219"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.04304"
                           xFract="0.00449364"
                           y3="12.6244"
                           yFract="0.79869924"
                           z3="25.6602"
                           zFract="0.65769583"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.52075"
                           xFract="0.2631818"
                           y3="15.31687"
                           yFract="0.96904189"
                           z3="12.74446"
                           zFract="0.32665288"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.45225"
                           xFract="0.25602998"
                           y3="10.74902"
                           yFract="0.68005087"
                           z3="16.37051"
                           zFract="0.41959206"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="0.1114"
                           xFract="0.01163084"
                           y3="13.37559"
                           yFract="0.84622427"
                           z3="15.01967"
                           zFract="0.38496872"/>
                     <atom elementType="Mg"
                           id="a22"
                           x3="2.36235"
                           xFract="0.24664386"
                           y3="5.35419"
                           yFract="0.33873986"
                           z3="14.76989"
                           zFract="0.37856661"/>
                     <atom elementType="Mg"
                           id="a23"
                           x3="4.77045"
                           xFract="0.49806431"
                           y3="2.92568"
                           yFract="0.18509699"
                           z3="16.22401"
                           zFract="0.41583712"/>
                     <atom elementType="Mg"
                           id="a24"
                           x3="0.05433"
                           xFract="0.00567239"
                           y3="7.2140"
                           yFract="0.45640318"
                           z3="12.9095"
                           zFract="0.33088301"/>
                     <atom elementType="Mg"
                           id="a25"
                           x3="2.47923"
                           xFract="0.25884685"
                           y3="0.36749"
                           yFract="0.02324974"
                           z3="15.64913"
                           zFract="0.40110239"/>
                     <atom elementType="Mg"
                           id="a26"
                           x3="0.06107"
                           xFract="0.00637608"
                           y3="12.59186"
                           yFract="0.79664056"
                           z3="11.53806"
                           zFract="0.29573167"/>
                     <atom elementType="Mg"
                           id="a27"
                           x3="0.04863"
                           xFract="0.00507727"
                           y3="8.18524"
                           yFract="0.51784996"
                           z3="15.69697"
                           zFract="0.40232857"/>
                     <atom elementType="Mg"
                           id="a28"
                           x3="2.45618"
                           xFract="0.25644029"
                           y3="13.78777"
                           yFract="0.87230138"
                           z3="17.59535"
                           zFract="0.4509859"/>
                     <atom elementType="Mg"
                           id="a29"
                           x3="2.20727"
                           xFract="0.23045256"
                           y3="2.64789"
                           yFract="0.16752224"
                           z3="13.1967"
                           zFract="0.33824423"/>
                     <atom elementType="Mg"
                           id="a30"
                           x3="2.45537"
                           xFract="0.25635572"
                           y3="9.14121"
                           yFract="0.57833066"
                           z3="21.47271"
                           zFract="0.55036639"/>
                     <atom elementType="Mg"
                           id="a31"
                           x3="0.07676"
                           xFract="0.00801422"
                           y3="10.29483"
                           yFract="0.65131594"
                           z3="13.38358"
                           zFract="0.34303414"/>
                     <atom elementType="Mg"
                           id="a32"
                           x3="7.15539"
                           xFract="0.74706671"
                           y3="7.64007"
                           yFract="0.48335906"
                           z3="26.31295"
                           zFract="0.67442644"/>
                     <atom elementType="Mg"
                           id="a33"
                           x3="4.86579"
                           xFract="0.50801839"
                           y3="10.29476"
                           yFract="0.65131151"
                           z3="13.38351"
                           zFract="0.34303235"/>
                     <atom elementType="Mg"
                           id="a34"
                           x3="4.79216"
                           xFract="0.50033097"
                           y3="10.41668"
                           yFract="0.65902494"
                           z3="27.57347"
                           zFract="0.70673479"/>
                     <atom elementType="Mg"
                           id="a35"
                           x3="7.27144"
                           xFract="0.75918304"
                           y3="6.1620"
                           yFract="0.38984702"
                           z3="20.28229"
                           zFract="0.51985477"/>
                     <atom elementType="Mg"
                           id="a36"
                           x3="7.34577"
                           xFract="0.76694355"
                           y3="1.78059"
                           yFract="0.11265136"
                           z3="24.29868"
                           zFract="0.62279875"/>
                     <atom elementType="Mg"
                           id="a37"
                           x3="4.93536"
                           xFract="0.51528193"
                           y3="4.19713"
                           yFract="0.26553694"
                           z3="22.84097"
                           zFract="0.58543623"/>
                     <atom elementType="Mg"
                           id="a38"
                           x3="4.87877"
                           xFract="0.50937358"
                           y3="8.78785"
                           yFract="0.55597487"
                           z3="18.79435"
                           zFract="0.48171743"/>
                     <atom elementType="Mg"
                           id="a39"
                           x3="7.21767"
                           xFract="0.75356912"
                           y3="0.9678"
                           yFract="0.06122914"
                           z3="18.79153"
                           zFract="0.48164515"/>
                     <atom elementType="Mg"
                           id="a40"
                           x3="7.23298"
                           xFract="0.75516758"
                           y3="12.16179"
                           yFract="0.76943162"
                           z3="22.71525"
                           zFract="0.5822139"/>
                     <atom elementType="Mg"
                           id="a41"
                           x3="0.00596"
                           xFract="0.00062226"
                           y3="9.5528"
                           yFract="0.60437044"
                           z3="24.03791"
                           zFract="0.61611496"/>
                     <atom elementType="Mg"
                           id="a42"
                           x3="0.03001"
                           xFract="0.00313323"
                           y3="14.14485"
                           yFract="0.89489251"
                           z3="20.27611"
                           zFract="0.51969638"/>
                     <atom elementType="Mg"
                           id="a43"
                           x3="7.22014"
                           xFract="0.75382701"
                           y3="6.76252"
                           yFract="0.42783971"
                           z3="23.41867"
                           zFract="0.60024324"/>
                     <atom elementType="Mg"
                           id="a44"
                           x3="7.24048"
                           xFract="0.75595063"
                           y3="11.46743"
                           yFract="0.72550202"
                           z3="19.53528"
                           zFract="0.50070818"/>
                     <atom elementType="Mg"
                           id="a45"
                           x3="4.85035"
                           xFract="0.50640636"
                           y3="3.56457"
                           yFract="0.2255172"
                           z3="19.53497"
                           zFract="0.50070024"/>
                     <atom elementType="Mg"
                           id="a46"
                           x3="4.86058"
                           xFract="0.50747444"
                           y3="14.75697"
                           yFract="0.93361909"
                           z3="23.35834"
                           zFract="0.59869692"/>
                     <atom elementType="Mg"
                           id="a47"
                           x3="4.83057"
                           xFract="0.50434121"
                           y3="5.82351"
                           yFract="0.36843201"
                           z3="17.54036"
                           zFract="0.44957645"/>
                     <atom elementType="Mg"
                           id="a48"
                           x3="7.4870"
                           xFract="0.78168883"
                           y3="4.49141"
                           yFract="0.28415495"
                           z3="25.8736"
                           zFract="0.66316548"/>
                     <atom elementType="Mg"
                           id="a49"
                           x3="4.87502"
                           xFract="0.50898206"
                           y3="1.30497"
                           yFract="0.08256064"
                           z3="21.5252"
                           zFract="0.55171176"/>
                     <atom elementType="Mg"
                           id="a50"
                           x3="4.87393"
                           xFract="0.50886826"
                           y3="12.58758"
                           yFract="0.79636978"
                           z3="25.55794"
                           zFract="0.6550748"/>
                     <atom elementType="Mg"
                           id="a51"
                           x3="7.31012"
                           xFract="0.76322147"
                           y3="15.31673"
                           yFract="0.96903304"
                           z3="12.74384"
                           zFract="0.32663699"/>
                     <atom elementType="Mg"
                           id="a52"
                           x3="7.24144"
                           xFract="0.75605086"
                           y3="10.74854"
                           yFract="0.6800205"
                           z3="16.37111"
                           zFract="0.41960744"/>
                     <atom elementType="Mg"
                           id="a53"
                           x3="4.90009"
                           xFract="0.51159952"
                           y3="13.37548"
                           yFract="0.84621731"
                           z3="15.01959"
                           zFract="0.38496667"/>
                     <atom elementType="Mg"
                           id="a54"
                           x3="7.1515"
                           xFract="0.74666057"
                           y3="5.35393"
                           yFract="0.33872341"
                           z3="14.77026"
                           zFract="0.3785761"/>
                     <atom elementType="Mg"
                           id="a55"
                           x3="9.55909"
                           xFract="0.99802777"
                           y3="2.9263"
                           yFract="0.18513621"
                           z3="16.22422"
                           zFract="0.4158425"/>
                     <atom elementType="Mg"
                           id="a56"
                           x3="4.84291"
                           xFract="0.50562958"
                           y3="7.21379"
                           yFract="0.4563899"
                           z3="12.91016"
                           zFract="0.33089993"/>
                     <atom elementType="Mg"
                           id="a57"
                           x3="7.26754"
                           xFract="0.75877586"
                           y3="0.36749"
                           yFract="0.02324974"
                           z3="15.64892"
                           zFract="0.40109701"/>
                     <atom elementType="Mg"
                           id="a58"
                           x3="4.85128"
                           xFract="0.50650346"
                           y3="12.5930"
                           yFract="0.79671268"
                           z3="11.53897"
                           zFract="0.295755"/>
                     <atom elementType="Mg"
                           id="a59"
                           x3="4.83786"
                           xFract="0.50510233"
                           y3="8.18629"
                           yFract="0.51791639"
                           z3="15.69807"
                           zFract="0.40235677"/>
                     <atom elementType="Mg"
                           id="a60"
                           x3="7.24533"
                           xFract="0.756457"
                           y3="13.78831"
                           yFract="0.87233554"
                           z3="17.59597"
                           zFract="0.45100179"/>
                     <atom elementType="Mg"
                           id="a61"
                           x3="6.99615"
                           xFract="0.73044107"
                           y3="2.64802"
                           yFract="0.16753046"
                           z3="13.19687"
                           zFract="0.33824858"/>
                     <atom elementType="Mg"
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a142 a202" order="S"/>
                     <bond atomRefs2="a143 a200" order="S"/>
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                     <bond atomRefs2="a146 a200" order="S"/>
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                     <bond atomRefs2="a148 a208" order="S"/>
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                     <bond atomRefs2="a150 a198" order="S"/>
                     <bond atomRefs2="a152 a203" order="S"/>
                     <bond atomRefs2="a153 a215" order="S"/>
                     <bond atomRefs2="a154 a214" order="S"/>
                     <bond atomRefs2="a155 a200" order="S"/>
                     <bond atomRefs2="a156 a199" order="S"/>
                     <bond atomRefs2="a159 a196" order="S"/>
                     <bond atomRefs2="a160 a195" order="S"/>
                     <bond atomRefs2="a161 a197" order="S"/>
                     <bond atomRefs2="a162 a197" order="S"/>
                     <bond atomRefs2="a163 a196" order="S"/>
                     <bond atomRefs2="a164 a207" order="S"/>
                     <bond atomRefs2="a165 a198" order="S"/>
                     <bond atomRefs2="a168 a217" order="S"/>
                     <bond atomRefs2="a169 a218" order="S"/>
                     <bond atomRefs2="a170 a219" order="S"/>
                     <bond atomRefs2="a171 a208" order="S"/>
                     <bond atomRefs2="a172 a220" order="S"/>
                     <bond atomRefs2="a173 a221" order="S"/>
                     <bond atomRefs2="a174 a221" order="S"/>
                     <bond atomRefs2="a175 a222" order="S"/>
                     <bond atomRefs2="a176 a208" order="S"/>
                     <bond atomRefs2="a178 a219" order="S"/>
                     <bond atomRefs2="a179 a205" order="S"/>
                     <bond atomRefs2="a180 a202" order="S"/>
                     <bond atomRefs2="a181 a195" order="S"/>
                     <bond atomRefs2="a182 a196" order="S"/>
                     <bond atomRefs2="a183 a207" order="S"/>
                     <bond atomRefs2="a184 a220" order="S"/>
                     <bond atomRefs2="a185 a208" order="S"/>
                     <bond atomRefs2="a186 a222" order="S"/>
                     <bond atomRefs2="a188 a217" order="S"/>
                     <bond atomRefs2="a189 a216" order="S"/>
                     <bond atomRefs2="a190 a219" order="S"/>
                     <bond atomRefs2="a191 a217" order="S"/>
                     <bond atomRefs2="a192 a216" order="S"/>
                     <bond atomRefs2="a225 a226" order="S"/>
                     <bond atomRefs2="a226 a230" order="S"/>
                     <bond atomRefs2="a226 a227" order="S"/>
                     <bond atomRefs2="a226 a228" order="S"/>
                     <bond atomRefs2="a229 a230" order="S"/>
                  </bondArray>
                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
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                           x3="0.05964"
                           xFract="0.00622678"
                           y3="15.7276"
                           yFract="0.99502727"
                           z3="26.1475"
                           zFract="0.6701858"/>
                     <atom elementType="Mg"
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                           x3="0.11158"
                           xFract="0.01164964"
                           y3="10.31758"
                           yFract="0.65275525"
                           z3="27.46844"
                           zFract="0.70404277"/>
                     <atom elementType="Mg"
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                           x3="2.48776"
                           xFract="0.25973744"
                           y3="6.15772"
                           yFract="0.38957624"
                           z3="20.2817"
                           zFract="0.51983965"/>
                     <atom elementType="Mg"
                           id="a4"
                           x3="2.55029"
                           xFract="0.26626596"
                           y3="1.77469"
                           yFract="0.11227809"
                           z3="24.30702"
                           zFract="0.62301251"/>
                     <atom elementType="Mg"
                           id="a5"
                           x3="0.14429"
                           xFract="0.01506476"
                           y3="4.20507"
                           yFract="0.26603928"
                           z3="22.85449"
                           zFract="0.58578276"/>
                     <atom elementType="Mg"
                           id="a6"
                           x3="0.08834"
                           xFract="0.00922324"
                           y3="8.7877"
                           yFract="0.55596538"
                           z3="18.79148"
                           zFract="0.48164387"/>
                     <atom elementType="Mg"
                           id="a7"
                           x3="2.42721"
                           xFract="0.25341565"
                           y3="0.96747"
                           yFract="0.06120826"
                           z3="18.79121"
                           zFract="0.48163695"/>
                     <atom elementType="Mg"
                           id="a8"
                           x3="2.42944"
                           xFract="0.25364847"
                           y3="12.16135"
                           yFract="0.76940378"
                           z3="22.70294"
                           zFract="0.58189838"/>
                     <atom elementType="Mg"
                           id="a9"
                           x3="4.78364"
                           xFract="0.49944143"
                           y3="9.56801"
                           yFract="0.60533272"
                           z3="24.08545"
                           zFract="0.61733346"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="4.81922"
                           xFract="0.5031562"
                           y3="14.14194"
                           yFract="0.89470841"
                           z3="20.27728"
                           zFract="0.51972636"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.43487"
                           xFract="0.2542154"
                           y3="6.75234"
                           yFract="0.42719566"
                           z3="23.41796"
                           zFract="0.60022504"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.45527"
                           xFract="0.25634528"
                           y3="11.46576"
                           yFract="0.72539636"
                           z3="19.53345"
                           zFract="0.50066128"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.06368"
                           xFract="0.00664858"
                           y3="3.56471"
                           yFract="0.22552606"
                           z3="19.53715"
                           zFract="0.50075611"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.07047"
                           xFract="0.0073575"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.3647"
                           zFract="0.59885993"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.40643"
                           xFract="0.25124609"
                           y3="7.59636"
                           yFract="0.48059369"
                           z3="26.30285"
                           zFract="0.67416757"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.70712"
                           xFract="0.28263997"
                           y3="4.46511"
                           yFract="0.28249105"
                           z3="25.87737"
                           zFract="0.6632621"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.08333"
                           xFract="0.00870016"
                           y3="1.30535"
                           yFract="0.08258468"
                           z3="21.53421"
                           zFract="0.5519427"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.04303"
                           xFract="0.0044926"
                           y3="12.6244"
                           yFract="0.79869924"
                           z3="25.66022"
                           zFract="0.65769634"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.52074"
                           xFract="0.26318075"
                           y3="15.31692"
                           yFract="0.96904506"
                           z3="12.74451"
                           zFract="0.32665416"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.45222"
                           xFract="0.25602684"
                           y3="10.74903"
                           yFract="0.6800515"
                           z3="16.37055"
                           zFract="0.41959308"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="0.11137"
                           xFract="0.01162771"
                           y3="13.3756"
                           yFract="0.8462249"
                           z3="15.01971"
                           zFract="0.38496974"/>
                     <atom elementType="Mg"
                           id="a22"
                           x3="2.3623"
                           xFract="0.24663864"
                           y3="5.35419"
                           yFract="0.33873986"
                           z3="14.76992"
                           zFract="0.37856738"/>
                     <atom elementType="Mg"
                           id="a23"
                           x3="4.77041"
                           xFract="0.49806013"
                           y3="2.92569"
                           yFract="0.18509762"
                           z3="16.22403"
                           zFract="0.41583763"/>
                     <atom elementType="Mg"
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                           x3="0.05429"
                           xFract="0.00566821"
                           y3="7.21398"
                           yFract="0.45640192"
                           z3="12.90955"
                           zFract="0.33088429"/>
                     <atom elementType="Mg"
                           id="a25"
                           x3="2.47921"
                           xFract="0.25884477"
                           y3="0.36751"
                           yFract="0.023251"
                           z3="15.64917"
                           zFract="0.40110341"/>
                     <atom elementType="Mg"
                           id="a26"
                           x3="0.06102"
                           xFract="0.00637086"
                           y3="12.59185"
                           yFract="0.79663993"
                           z3="11.53809"
                           zFract="0.29573244"/>
                     <atom elementType="Mg"
                           id="a27"
                           x3="0.0486"
                           xFract="0.00507414"
                           y3="8.18523"
                           yFract="0.51784932"
                           z3="15.69701"
                           zFract="0.4023296"/>
                     <atom elementType="Mg"
                           id="a28"
                           x3="2.45615"
                           xFract="0.25643716"
                           y3="13.78777"
                           yFract="0.87230138"
                           z3="17.59537"
                           zFract="0.45098641"/>
                     <atom elementType="Mg"
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                           x3="2.20723"
                           xFract="0.23044838"
                           y3="2.64793"
                           yFract="0.16752477"
                           z3="13.1967"
                           zFract="0.33824423"/>
                     <atom elementType="Mg"
                           id="a30"
                           x3="2.45537"
                           xFract="0.25635572"
                           y3="9.14124"
                           yFract="0.57833255"
                           z3="21.47272"
                           zFract="0.55036665"/>
                     <atom elementType="Mg"
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                           x3="0.07673"
                           xFract="0.00801108"
                           y3="10.29483"
                           yFract="0.65131594"
                           z3="13.38361"
                           zFract="0.34303491"/>
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                           xFract="0.74706358"
                           y3="7.64011"
                           yFract="0.48336159"
                           z3="26.31299"
                           zFract="0.67442747"/>
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                           x3="4.86576"
                           xFract="0.50801526"
                           y3="10.29475"
                           yFract="0.65131088"
                           z3="13.38353"
                           zFract="0.34303286"/>
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                           x3="4.79241"
                           xFract="0.50035707"
                           y3="10.41642"
                           yFract="0.65900849"
                           z3="27.57315"
                           zFract="0.70672659"/>
                     <atom elementType="Mg"
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                           x3="7.27142"
                           xFract="0.75918095"
                           y3="6.16199"
                           yFract="0.38984639"
                           z3="20.28234"
                           zFract="0.51985606"/>
                     <atom elementType="Mg"
                           id="a36"
                           x3="7.34574"
                           xFract="0.76694042"
                           y3="1.78059"
                           yFract="0.11265136"
                           z3="24.2987"
                           zFract="0.62279926"/>
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                           x3="4.93532"
                           xFract="0.51527775"
                           y3="4.19716"
                           yFract="0.26553884"
                           z3="22.84099"
                           zFract="0.58543674"/>
                     <atom elementType="Mg"
                           id="a38"
                           x3="4.87873"
                           xFract="0.50936941"
                           y3="8.78787"
                           yFract="0.55597614"
                           z3="18.7944"
                           zFract="0.48171871"/>
                     <atom elementType="Mg"
                           id="a39"
                           x3="7.21764"
                           xFract="0.75356599"
                           y3="0.96779"
                           yFract="0.06122851"
                           z3="18.79158"
                           zFract="0.48164643"/>
                     <atom elementType="Mg"
                           id="a40"
                           x3="7.23294"
                           xFract="0.75516341"
                           y3="12.1618"
                           yFract="0.76943225"
                           z3="22.71531"
                           zFract="0.58221544"/>
                     <atom elementType="Mg"
                           id="a41"
                           x3="0.00595"
                           xFract="0.00062122"
                           y3="9.5528"
                           yFract="0.60437044"
                           z3="24.03799"
                           zFract="0.61611701"/>
                     <atom elementType="Mg"
                           id="a42"
                           x3="0.02998"
                           xFract="0.0031301"
                           y3="14.14485"
                           yFract="0.89489251"
                           z3="20.27615"
                           zFract="0.5196974"/>
                     <atom elementType="Mg"
                           id="a43"
                           x3="7.22012"
                           xFract="0.75382492"
                           y3="6.76255"
                           yFract="0.42784161"
                           z3="23.41873"
                           zFract="0.60024478"/>
                     <atom elementType="Mg"
                           id="a44"
                           x3="7.24046"
                           xFract="0.75594854"
                           y3="11.46742"
                           yFract="0.72550139"
                           z3="19.53533"
                           zFract="0.50070947"/>
                     <atom elementType="Mg"
                           id="a45"
                           x3="4.85032"
                           xFract="0.50640323"
                           y3="3.56457"
                           yFract="0.2255172"
                           z3="19.53502"
                           zFract="0.50070152"/>
                     <atom elementType="Mg"
                           id="a46"
                           x3="4.86062"
                           xFract="0.50747861"
                           y3="14.75698"
                           yFract="0.93361972"
                           z3="23.35838"
                           zFract="0.59869795"/>
                     <atom elementType="Mg"
                           id="a47"
                           x3="4.83054"
                           xFract="0.50433808"
                           y3="5.8235"
                           yFract="0.36843138"
                           z3="17.54038"
                           zFract="0.44957696"/>
                     <atom elementType="Mg"
                           id="a48"
                           x3="7.48698"
                           xFract="0.78168674"
                           y3="4.49146"
                           yFract="0.28415812"
                           z3="25.8736"
                           zFract="0.66316548"/>
                     <atom elementType="Mg"
                           id="a49"
                           x3="4.87499"
                           xFract="0.50897893"
                           y3="1.30498"
                           yFract="0.08256127"
                           z3="21.52524"
                           zFract="0.55171279"/>
                     <atom elementType="Mg"
                           id="a50"
                           x3="4.87382"
                           xFract="0.50885677"
                           y3="12.58762"
                           yFract="0.79637231"
                           z3="25.55791"
                           zFract="0.65507404"/>
                     <atom elementType="Mg"
                           id="a51"
                           x3="7.31009"
                           xFract="0.76321834"
                           y3="15.31676"
                           yFract="0.96903494"
                           z3="12.74388"
                           zFract="0.32663801"/>
                     <atom elementType="Mg"
                           id="a52"
                           x3="7.2414"
                           xFract="0.75604668"
                           y3="10.74854"
                           yFract="0.6800205"
                           z3="16.37115"
                           zFract="0.41960846"/>
                     <atom elementType="Mg"
                           id="a53"
                           x3="4.90007"
                           xFract="0.51159743"
                           y3="13.37548"
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                     <bond atomRefs2="a183 a207" order="S"/>
                     <bond atomRefs2="a184 a220" order="S"/>
                     <bond atomRefs2="a185 a208" order="S"/>
                     <bond atomRefs2="a186 a222" order="S"/>
                     <bond atomRefs2="a188 a217" order="S"/>
                     <bond atomRefs2="a189 a216" order="S"/>
                     <bond atomRefs2="a190 a219" order="S"/>
                     <bond atomRefs2="a191 a217" order="S"/>
                     <bond atomRefs2="a192 a216" order="S"/>
                     <bond atomRefs2="a225 a226" order="S"/>
                     <bond atomRefs2="a226 a230" order="S"/>
                     <bond atomRefs2="a226 a227" order="S"/>
                     <bond atomRefs2="a226 a228" order="S"/>
                     <bond atomRefs2="a229 a230" order="S"/>
                  </bondArray>
                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Mg"
                           id="a1"
                           x3="0.05963"
                           xFract="0.00622574"
                           y3="15.72752"
                           yFract="0.99502221"
                           z3="26.14747"
                           zFract="0.67018503"/>
                     <atom elementType="Mg"
                           id="a2"
                           x3="0.11182"
                           xFract="0.0116747"
                           y3="10.3176"
                           yFract="0.65275651"
                           z3="27.46826"
                           zFract="0.70403816"/>
                     <atom elementType="Mg"
                           id="a3"
                           x3="2.48781"
                           xFract="0.25974266"
                           y3="6.15769"
                           yFract="0.38957434"
                           z3="20.28164"
                           zFract="0.51983811"/>
                     <atom elementType="Mg"
                           id="a4"
                           x3="2.55032"
                           xFract="0.26626909"
                           y3="1.77464"
                           yFract="0.11227493"
                           z3="24.30701"
                           zFract="0.62301225"/>
                     <atom elementType="Mg"
                           id="a5"
                           x3="0.1443"
                           xFract="0.01506581"
                           y3="4.20503"
                           yFract="0.26603675"
                           z3="22.85448"
                           zFract="0.5857825"/>
                     <atom elementType="Mg"
                           id="a6"
                           x3="0.08836"
                           xFract="0.00922533"
                           y3="8.78768"
                           yFract="0.55596412"
                           z3="18.79143"
                           zFract="0.48164259"/>
                     <atom elementType="Mg"
                           id="a7"
                           x3="2.42724"
                           xFract="0.25341878"
                           y3="0.96744"
                           yFract="0.06120636"
                           z3="18.79117"
                           zFract="0.48163592"/>
                     <atom elementType="Mg"
                           id="a8"
                           x3="2.42949"
                           xFract="0.25365369"
                           y3="12.16137"
                           yFract="0.76940504"
                           z3="22.70291"
                           zFract="0.58189761"/>
                     <atom elementType="Mg"
                           id="a9"
                           x3="4.78364"
                           xFract="0.49944143"
                           y3="9.56803"
                           yFract="0.60533398"
                           z3="24.08538"
                           zFract="0.61733166"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="4.81925"
                           xFract="0.50315933"
                           y3="14.14195"
                           yFract="0.89470904"
                           z3="20.27722"
                           zFract="0.51972483"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.43488"
                           xFract="0.25421644"
                           y3="6.75232"
                           yFract="0.42719439"
                           z3="23.41793"
                           zFract="0.60022427"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.4553"
                           xFract="0.25634842"
                           y3="11.46572"
                           yFract="0.72539383"
                           z3="19.5334"
                           zFract="0.50066"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.06372"
                           xFract="0.00665276"
                           y3="3.56471"
                           yFract="0.22552606"
                           z3="19.5371"
                           zFract="0.50075483"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.07054"
                           xFract="0.00736481"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.36467"
                           zFract="0.59885917"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.4065"
                           xFract="0.2512534"
                           y3="7.59638"
                           yFract="0.48059496"
                           z3="26.30282"
                           zFract="0.6741668"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.70719"
                           xFract="0.28264728"
                           y3="4.46508"
                           yFract="0.28248915"
                           z3="25.87733"
                           zFract="0.66326108"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.08335"
                           xFract="0.00870225"
                           y3="1.30534"
                           yFract="0.08258405"
                           z3="21.53419"
                           zFract="0.55194219"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.04304"
                           xFract="0.00449364"
                           y3="12.6244"
                           yFract="0.79869924"
                           z3="25.6602"
                           zFract="0.65769583"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.52075"
                           xFract="0.2631818"
                           y3="15.31687"
                           yFract="0.96904189"
                           z3="12.74446"
                           zFract="0.32665288"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.45225"
                           xFract="0.25602998"
                           y3="10.74902"
                           yFract="0.68005087"
                           z3="16.37051"
                           zFract="0.41959206"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="0.1114"
                           xFract="0.01163084"
                           y3="13.37559"
                           yFract="0.84622427"
                           z3="15.01967"
                           zFract="0.38496872"/>
                     <atom elementType="Mg"
                           id="a22"
                           x3="2.36234"
                           xFract="0.24664282"
                           y3="5.35419"
                           yFract="0.33873986"
                           z3="14.76989"
                           zFract="0.37856661"/>
                     <atom elementType="Mg"
                           id="a23"
                           x3="4.77045"
                           xFract="0.49806431"
                           y3="2.92568"
                           yFract="0.18509699"
                           z3="16.22401"
                           zFract="0.41583712"/>
                     <atom elementType="Mg"
                           id="a24"
                           x3="0.05433"
                           xFract="0.00567239"
                           y3="7.2140"
                           yFract="0.45640318"
                           z3="12.9095"
                           zFract="0.33088301"/>
                     <atom elementType="Mg"
                           id="a25"
                           x3="2.47923"
                           xFract="0.25884685"
                           y3="0.36749"
                           yFract="0.02324974"
                           z3="15.64914"
                           zFract="0.40110264"/>
                     <atom elementType="Mg"
                           id="a26"
                           x3="0.06107"
                           xFract="0.00637608"
                           y3="12.59186"
                           yFract="0.79664056"
                           z3="11.53806"
                           zFract="0.29573167"/>
                     <atom elementType="Mg"
                           id="a27"
                           x3="0.04862"
                           xFract="0.00507623"
                           y3="8.18523"
                           yFract="0.51784932"
                           z3="15.69698"
                           zFract="0.40232883"/>
                     <atom elementType="Mg"
                           id="a28"
                           x3="2.45617"
                           xFract="0.25643925"
                           y3="13.78777"
                           yFract="0.87230138"
                           z3="17.59535"
                           zFract="0.4509859"/>
                     <atom elementType="Mg"
                           id="a29"
                           x3="2.20726"
                           xFract="0.23045151"
                           y3="2.6479"
                           yFract="0.16752287"
                           z3="13.1967"
                           zFract="0.33824423"/>
                     <atom elementType="Mg"
                           id="a30"
                           x3="2.45537"
                           xFract="0.25635572"
                           y3="9.14122"
                           yFract="0.57833129"
                           z3="21.47271"
                           zFract="0.55036639"/>
                     <atom elementType="Mg"
                           id="a31"
                           x3="0.07676"
                           xFract="0.00801422"
                           y3="10.29483"
                           yFract="0.65131594"
                           z3="13.38358"
                           zFract="0.34303414"/>
                     <atom elementType="Mg"
                           id="a32"
                           x3="7.15539"
                           xFract="0.74706671"
                           y3="7.64007"
                           yFract="0.48335906"
                           z3="26.31296"
                           zFract="0.6744267"/>
                     <atom elementType="Mg"
                           id="a33"
                           x3="4.86578"
                           xFract="0.50801735"
                           y3="10.29475"
                           yFract="0.65131088"
                           z3="13.38352"
                           zFract="0.34303261"/>
                     <atom elementType="Mg"
                           id="a34"
                           x3="4.79219"
                           xFract="0.5003341"
                           y3="10.41666"
                           yFract="0.65902367"
                           z3="27.57344"
                           zFract="0.70673402"/>
                     <atom elementType="Mg"
                           id="a35"
                           x3="7.27144"
                           xFract="0.75918304"
                           y3="6.1620"
                           yFract="0.38984702"
                           z3="20.28229"
                           zFract="0.51985477"/>
                     <atom elementType="Mg"
                           id="a36"
                           x3="7.34576"
                           xFract="0.76694251"
                           y3="1.78059"
                           yFract="0.11265136"
                           z3="24.29869"
                           zFract="0.622799"/>
                     <atom elementType="Mg"
                           id="a37"
                           x3="4.93536"
                           xFract="0.51528193"
                           y3="4.19713"
                           yFract="0.26553694"
                           z3="22.84097"
                           zFract="0.58543623"/>
                     <atom elementType="Mg"
                           id="a38"
                           x3="4.87877"
                           xFract="0.50937358"
                           y3="8.78785"
                           yFract="0.55597487"
                           z3="18.79436"
                           zFract="0.48171769"/>
                     <atom elementType="Mg"
                           id="a39"
                           x3="7.21766"
                           xFract="0.75356808"
                           y3="0.9678"
                           yFract="0.06122914"
                           z3="18.79153"
                           zFract="0.48164515"/>
                     <atom elementType="Mg"
                           id="a40"
                           x3="7.23298"
                           xFract="0.75516758"
                           y3="12.16179"
                           yFract="0.76943162"
                           z3="22.71525"
                           zFract="0.5822139"/>
                     <atom elementType="Mg"
                           id="a41"
                           x3="0.00595"
                           xFract="0.00062122"
                           y3="9.5528"
                           yFract="0.60437044"
                           z3="24.03792"
                           zFract="0.61611522"/>
                     <atom elementType="Mg"
                           id="a42"
                           x3="0.03001"
                           xFract="0.00313323"
                           y3="14.14485"
                           yFract="0.89489251"
                           z3="20.27612"
                           zFract="0.51969663"/>
                     <atom elementType="Mg"
                           id="a43"
                           x3="7.22014"
                           xFract="0.75382701"
                           y3="6.76253"
                           yFract="0.42784034"
                           z3="23.41867"
                           zFract="0.60024324"/>
                     <atom elementType="Mg"
                           id="a44"
                           x3="7.24048"
                           xFract="0.75595063"
                           y3="11.46743"
                           yFract="0.72550202"
                           z3="19.53528"
                           zFract="0.50070818"/>
                     <atom elementType="Mg"
                           id="a45"
                           x3="4.85035"
                           xFract="0.50640636"
                           y3="3.56457"
                           yFract="0.2255172"
                           z3="19.53497"
                           zFract="0.50070024"/>
                     <atom elementType="Mg"
                           id="a46"
                           x3="4.86059"
                           xFract="0.50747548"
                           y3="14.75697"
                           yFract="0.93361909"
                           z3="23.35835"
                           zFract="0.59869718"/>
                     <atom elementType="Mg"
                           id="a47"
                           x3="4.83056"
                           xFract="0.50434016"
                           y3="5.82351"
                           yFract="0.36843201"
                           z3="17.54036"
                           zFract="0.44957645"/>
                     <atom elementType="Mg"
                           id="a48"
                           x3="7.4870"
                           xFract="0.78168883"
                           y3="4.49142"
                           yFract="0.28415558"
                           z3="25.8736"
                           zFract="0.66316548"/>
                     <atom elementType="Mg"
                           id="a49"
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                           xFract="0.50898206"
                           y3="1.30497"
                           yFract="0.08256064"
                           z3="21.5252"
                           zFract="0.55171176"/>
                     <atom elementType="Mg"
                           id="a50"
                           x3="4.87392"
                           xFract="0.50886721"
                           y3="12.58759"
                           yFract="0.79637041"
                           z3="25.55794"
                           zFract="0.6550748"/>
                     <atom elementType="Mg"
                           id="a51"
                           x3="7.31011"
                           xFract="0.76322043"
                           y3="15.31673"
                           yFract="0.96903304"
                           z3="12.74384"
                           zFract="0.32663699"/>
                     <atom elementType="Mg"
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                           x3="7.24144"
                           xFract="0.75605086"
                           y3="10.74854"
                           yFract="0.6800205"
                           z3="16.37112"
                           zFract="0.41960769"/>
                     <atom elementType="Mg"
                           id="a53"
                           x3="4.90009"
                           xFract="0.51159952"
                           y3="13.37548"
                           yFract="0.84621731"
                           z3="15.0196"
                           zFract="0.38496692"/>
                     <atom elementType="Mg"
                           id="a54"
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                           xFract="0.74665953"
                           y3="5.35393"
                           yFract="0.33872341"
                           z3="14.77026"
                           zFract="0.3785761"/>
                     <atom elementType="Mg"
                           id="a55"
                           x3="9.55909"
                           xFract="0.99802777"
                           y3="2.9263"
                           yFract="0.18513621"
                           z3="16.22422"
                           zFract="0.4158425"/>
                     <atom elementType="Mg"
                           id="a56"
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                           xFract="0.50562854"
                           y3="7.21379"
                           yFract="0.4563899"
                           z3="12.91016"
                           zFract="0.33089993"/>
                     <atom elementType="Mg"
                           id="a57"
                           x3="7.26753"
                           xFract="0.75877481"
                           y3="0.36749"
                           yFract="0.02324974"
                           z3="15.64892"
                           zFract="0.40109701"/>
                     <atom elementType="Mg"
                           id="a58"
                           x3="4.85128"
                           xFract="0.50650346"
                           y3="12.5930"
                           yFract="0.79671268"
                           z3="11.53897"
                           zFract="0.295755"/>
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                           id="a59"
                           x3="4.83786"
                           xFract="0.50510233"
                           y3="8.18629"
                           yFract="0.51791639"
                           z3="15.69808"
                           zFract="0.40235702"/>
                     <atom elementType="Mg"
                           id="a60"
                           x3="7.24533"
                           xFract="0.756457"
                           y3="13.78831"
                           yFract="0.87233554"
                           z3="17.59597"
                           zFract="0.45100179"/>
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                           xFract="0.73044107"
                           y3="2.64802"
                           yFract="0.16753046"
                           z3="13.19687"
                           zFract="0.33824858"/>
                     <atom elementType="Mg"
                           id="a62"
                           x3="7.23891"
                           xFract="0.75578671"
                           y3="9.14768"
                           yFract="0.57873999"
                           z3="21.47755"
                           zFract="0.55049045"/>
                     <atom elementType="Mg"
                           id="a63"
                           x3="0.04125"
                           xFract="0.00430675"
                           y3="5.8234"
                           yFract="0.36842505"
                           z3="17.54182"
                           zFract="0.44961387"/>
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                           id="a64"
                           x3="4.88967"
                           xFract="0.51051161"
                           y3="15.70891"
                           yFract="0.99384482"
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                           zFract="0.66988669"/>
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                           xFract="0.61661854"
                           y3="5.9352"
                           yFract="0.37549822"
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                           xFract="0.61711238"
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                           xFract="0.61712699"
                           y3="8.40379"
                           yFract="0.53167681"
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                           xFract="0.8691175"
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                           yFract="0.83502803"
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                           xFract="0.8697502"
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                           yFract="0.13011413"
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                           xFract="0.89713071"
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                     <bond atomRefs2="a174 a221" order="S"/>
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                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
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               <molecule id="calculation.position.9">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           xFract="0.00622574"
                           y3="15.72752"
                           yFract="0.99502221"
                           z3="26.14747"
                           zFract="0.67018503"/>
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                           y3="10.3176"
                           yFract="0.65275651"
                           z3="27.46827"
                           zFract="0.70403842"/>
                     <atom elementType="Mg"
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                           xFract="0.25974266"
                           y3="6.15769"
                           yFract="0.38957434"
                           z3="20.28164"
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                           xFract="0.26626909"
                           y3="1.77464"
                           yFract="0.11227493"
                           z3="24.30701"
                           zFract="0.62301225"/>
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                           xFract="0.01506476"
                           y3="4.20503"
                           yFract="0.26603675"
                           z3="22.85448"
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                           xFract="0.00922533"
                           y3="8.78768"
                           yFract="0.55596412"
                           z3="18.79143"
                           zFract="0.48164259"/>
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                           xFract="0.25341878"
                           y3="0.96745"
                           yFract="0.06120699"
                           z3="18.79117"
                           zFract="0.48163592"/>
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                           xFract="0.25365265"
                           y3="12.16137"
                           yFract="0.76940504"
                           z3="22.70291"
                           zFract="0.58189761"/>
                     <atom elementType="Mg"
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                           x3="4.78364"
                           xFract="0.49944143"
                           y3="9.56803"
                           yFract="0.60533398"
                           z3="24.08538"
                           zFract="0.61733166"/>
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                           xFract="0.50315933"
                           y3="14.14195"
                           yFract="0.89470904"
                           z3="20.27722"
                           zFract="0.51972483"/>
                     <atom elementType="Mg"
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                           x3="2.43488"
                           xFract="0.25421644"
                           y3="6.75232"
                           yFract="0.42719439"
                           z3="23.41793"
                           zFract="0.60022427"/>
                     <atom elementType="Mg"
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                           x3="2.4553"
                           xFract="0.25634842"
                           y3="11.46572"
                           yFract="0.72539383"
                           z3="19.53341"
                           zFract="0.50066025"/>
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                           xFract="0.00665276"
                           y3="3.56471"
                           yFract="0.22552606"
                           z3="19.5371"
                           zFract="0.50075483"/>
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                           x3="0.07053"
                           xFract="0.00736377"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.36467"
                           zFract="0.59885917"/>
                     <atom elementType="Mg"
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                           x3="2.4065"
                           xFract="0.2512534"
                           y3="7.59637"
                           yFract="0.48059432"
                           z3="26.30282"
                           zFract="0.6741668"/>
                     <atom elementType="Mg"
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                           xFract="0.28264728"
                           y3="4.46508"
                           yFract="0.28248915"
                           z3="25.87734"
                           zFract="0.66326134"/>
                     <atom elementType="Mg"
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                           x3="0.08335"
                           xFract="0.00870225"
                           y3="1.30534"
                           yFract="0.08258405"
                           z3="21.53419"
                           zFract="0.55194219"/>
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                           xFract="0.00449364"
                           y3="12.6244"
                           yFract="0.79869924"
                           z3="25.6602"
                           zFract="0.65769583"/>
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                           xFract="0.2631818"
                           y3="15.31688"
                           yFract="0.96904253"
                           z3="12.74446"
                           zFract="0.32665288"/>
                     <atom elementType="Mg"
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                           x3="2.45225"
                           xFract="0.25602998"
                           y3="10.74902"
                           yFract="0.68005087"
                           z3="16.37051"
                           zFract="0.41959206"/>
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                           xFract="0.01163084"
                           y3="13.37559"
                           yFract="0.84622427"
                           z3="15.01967"
                           zFract="0.38496872"/>
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                           x3="2.36234"
                           xFract="0.24664282"
                           y3="5.35419"
                           yFract="0.33873986"
                           z3="14.7699"
                           zFract="0.37856687"/>
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                           xFract="0.49806431"
                           y3="2.92568"
                           yFract="0.18509699"
                           z3="16.22401"
                           zFract="0.41583712"/>
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                           xFract="0.00567239"
                           y3="7.2140"
                           yFract="0.45640318"
                           z3="12.90951"
                           zFract="0.33088327"/>
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                           xFract="0.25884685"
                           y3="0.36749"
                           yFract="0.02324974"
                           z3="15.64914"
                           zFract="0.40110264"/>
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                           xFract="0.00637608"
                           y3="12.59186"
                           yFract="0.79664056"
                           z3="11.53807"
                           zFract="0.29573193"/>
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                           xFract="0.00507623"
                           y3="8.18523"
                           yFract="0.51784932"
                           z3="15.69698"
                           zFract="0.40232883"/>
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                           xFract="0.25643925"
                           y3="13.78777"
                           yFract="0.87230138"
                           z3="17.59535"
                           zFract="0.4509859"/>
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                           xFract="0.23045151"
                           y3="2.6479"
                           yFract="0.16752287"
                           z3="13.1967"
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                           xFract="0.25635572"
                           y3="9.14122"
                           yFract="0.57833129"
                           z3="21.47271"
                           zFract="0.55036639"/>
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                           xFract="0.00801422"
                           y3="10.29483"
                           yFract="0.65131594"
                           z3="13.38358"
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                           xFract="0.74706567"
                           y3="7.64007"
                           yFract="0.48335906"
                           z3="26.31296"
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                           xFract="0.50801735"
                           y3="10.29475"
                           yFract="0.65131088"
                           z3="13.38352"
                           zFract="0.34303261"/>
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                           xFract="0.50033619"
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                           yFract="0.65902304"
                           z3="27.57343"
                           zFract="0.70673377"/>
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                           xFract="0.75918304"
                           y3="6.1620"
                           yFract="0.38984702"
                           z3="20.2823"
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                           xFract="0.76694251"
                           y3="1.78059"
                           yFract="0.11265136"
                           z3="24.29869"
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                           xFract="0.51528193"
                           y3="4.19713"
                           yFract="0.26553694"
                           z3="22.84097"
                           zFract="0.58543623"/>
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                           xFract="0.50937358"
                           y3="8.78785"
                           yFract="0.55597487"
                           z3="18.79436"
                           zFract="0.48171769"/>
                     <atom elementType="Mg"
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                           xFract="0.75356808"
                           y3="0.9678"
                           yFract="0.06122914"
                           z3="18.79153"
                           zFract="0.48164515"/>
                     <atom elementType="Mg"
                           id="a40"
                           x3="7.23298"
                           xFract="0.75516758"
                           y3="12.16179"
                           yFract="0.76943162"
                           z3="22.71526"
                           zFract="0.58221416"/>
                     <atom elementType="Mg"
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                           x3="0.00595"
                           xFract="0.00062122"
                           y3="9.5528"
                           yFract="0.60437044"
                           z3="24.03792"
                           zFract="0.61611522"/>
                     <atom elementType="Mg"
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                           x3="0.0300"
                           xFract="0.00313218"
                           y3="14.14485"
                           yFract="0.89489251"
                           z3="20.27612"
                           zFract="0.51969663"/>
                     <atom elementType="Mg"
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                           x3="7.22014"
                           xFract="0.75382701"
                           y3="6.76253"
                           yFract="0.42784034"
                           z3="23.41868"
                           zFract="0.60024349"/>
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                           x3="7.24048"
                           xFract="0.75595063"
                           y3="11.46743"
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                     <bond atomRefs2="a130 a206" order="S"/>
                     <bond atomRefs2="a131 a221" order="S"/>
                     <bond atomRefs2="a132 a222" order="S"/>
                     <bond atomRefs2="a133 a204" order="S"/>
                     <bond atomRefs2="a135 a193" order="S"/>
                     <bond atomRefs2="a136 a206" order="S"/>
                     <bond atomRefs2="a137 a220" order="S"/>
                     <bond atomRefs2="a138 a198" order="S"/>
                     <bond atomRefs2="a139 a197" order="S"/>
                     <bond atomRefs2="a140 a206" order="S"/>
                     <bond atomRefs2="a141 a199" order="S"/>
                     <bond atomRefs2="a142 a202" order="S"/>
                     <bond atomRefs2="a143 a200" order="S"/>
                     <bond atomRefs2="a144 a224" order="S"/>
                     <bond atomRefs2="a145 a207" order="S"/>
                     <bond atomRefs2="a146 a200" order="S"/>
                     <bond atomRefs2="a147 a199" order="S"/>
                     <bond atomRefs2="a148 a208" order="S"/>
                     <bond atomRefs2="a149 a195" order="S"/>
                     <bond atomRefs2="a150 a198" order="S"/>
                     <bond atomRefs2="a152 a203" order="S"/>
                     <bond atomRefs2="a153 a215" order="S"/>
                     <bond atomRefs2="a154 a214" order="S"/>
                     <bond atomRefs2="a155 a200" order="S"/>
                     <bond atomRefs2="a156 a199" order="S"/>
                     <bond atomRefs2="a159 a196" order="S"/>
                     <bond atomRefs2="a160 a195" order="S"/>
                     <bond atomRefs2="a161 a197" order="S"/>
                     <bond atomRefs2="a162 a197" order="S"/>
                     <bond atomRefs2="a163 a196" order="S"/>
                     <bond atomRefs2="a164 a207" order="S"/>
                     <bond atomRefs2="a165 a198" order="S"/>
                     <bond atomRefs2="a168 a217" order="S"/>
                     <bond atomRefs2="a169 a218" order="S"/>
                     <bond atomRefs2="a170 a219" order="S"/>
                     <bond atomRefs2="a171 a208" order="S"/>
                     <bond atomRefs2="a172 a220" order="S"/>
                     <bond atomRefs2="a173 a221" order="S"/>
                     <bond atomRefs2="a174 a221" order="S"/>
                     <bond atomRefs2="a175 a222" order="S"/>
                     <bond atomRefs2="a176 a208" order="S"/>
                     <bond atomRefs2="a178 a219" order="S"/>
                     <bond atomRefs2="a179 a205" order="S"/>
                     <bond atomRefs2="a180 a202" order="S"/>
                     <bond atomRefs2="a181 a195" order="S"/>
                     <bond atomRefs2="a182 a196" order="S"/>
                     <bond atomRefs2="a183 a207" order="S"/>
                     <bond atomRefs2="a184 a220" order="S"/>
                     <bond atomRefs2="a185 a208" order="S"/>
                     <bond atomRefs2="a186 a222" order="S"/>
                     <bond atomRefs2="a188 a217" order="S"/>
                     <bond atomRefs2="a189 a216" order="S"/>
                     <bond atomRefs2="a190 a219" order="S"/>
                     <bond atomRefs2="a191 a217" order="S"/>
                     <bond atomRefs2="a192 a216" order="S"/>
                     <bond atomRefs2="a225 a226" order="S"/>
                     <bond atomRefs2="a226 a230" order="S"/>
                     <bond atomRefs2="a226 a227" order="S"/>
                     <bond atomRefs2="a226 a228" order="S"/>
                     <bond atomRefs2="a229 a230" order="S"/>
                  </bondArray>
                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.10">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Mg"
                           id="a1"
                           x3="0.05963"
                           xFract="0.00622574"
                           y3="15.72759"
                           yFract="0.99502664"
                           z3="26.14748"
                           zFract="0.67018529"/>
                     <atom elementType="Mg"
                           id="a2"
                           x3="0.11161"
                           xFract="0.01165277"
                           y3="10.31757"
                           yFract="0.65275462"
                           z3="27.46849"
                           zFract="0.70404405"/>
                     <atom elementType="Mg"
                           id="a3"
                           x3="2.48776"
                           xFract="0.25973744"
                           y3="6.15771"
                           yFract="0.38957561"
                           z3="20.28169"
                           zFract="0.5198394"/>
                     <atom elementType="Mg"
                           id="a4"
                           x3="2.55028"
                           xFract="0.26626491"
                           y3="1.77471"
                           yFract="0.11227936"
                           z3="24.3070"
                           zFract="0.623012"/>
                     <atom elementType="Mg"
                           id="a5"
                           x3="0.14429"
                           xFract="0.01506476"
                           y3="4.20508"
                           yFract="0.26603991"
                           z3="22.85448"
                           zFract="0.5857825"/>
                     <atom elementType="Mg"
                           id="a6"
                           x3="0.08834"
                           xFract="0.00922324"
                           y3="8.7877"
                           yFract="0.55596538"
                           z3="18.79145"
                           zFract="0.4816431"/>
                     <atom elementType="Mg"
                           id="a7"
                           x3="2.42721"
                           xFract="0.25341565"
                           y3="0.96747"
                           yFract="0.06120826"
                           z3="18.7912"
                           zFract="0.48163669"/>
                     <atom elementType="Mg"
                           id="a8"
                           x3="2.42943"
                           xFract="0.25364743"
                           y3="12.16134"
                           yFract="0.76940315"
                           z3="22.70292"
                           zFract="0.58189787"/>
                     <atom elementType="Mg"
                           id="a9"
                           x3="4.78364"
                           xFract="0.49944143"
                           y3="9.56802"
                           yFract="0.60533335"
                           z3="24.08543"
                           zFract="0.61733294"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="4.81922"
                           xFract="0.5031562"
                           y3="14.14194"
                           yFract="0.89470841"
                           z3="20.27727"
                           zFract="0.51972611"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.43485"
                           xFract="0.25421331"
                           y3="6.75234"
                           yFract="0.42719566"
                           z3="23.41793"
                           zFract="0.60022427"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.45528"
                           xFract="0.25634633"
                           y3="11.46576"
                           yFract="0.72539636"
                           z3="19.53345"
                           zFract="0.50066128"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.06368"
                           xFract="0.00664858"
                           y3="3.56472"
                           yFract="0.22552669"
                           z3="19.53714"
                           zFract="0.50075586"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.07046"
                           xFract="0.00735646"
                           y3="14.74268"
                           yFract="0.93271501"
                           z3="23.3647"
                           zFract="0.59885993"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.40644"
                           xFract="0.25124713"
                           y3="7.59634"
                           yFract="0.48059243"
                           z3="26.30286"
                           zFract="0.67416783"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.70712"
                           xFract="0.28263997"
                           y3="4.46512"
                           yFract="0.28249168"
                           z3="25.87736"
                           zFract="0.66326185"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.08332"
                           xFract="0.00869912"
                           y3="1.30535"
                           yFract="0.08258468"
                           z3="21.5342"
                           zFract="0.55194244"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.04304"
                           xFract="0.00449364"
                           y3="12.62441"
                           yFract="0.79869988"
                           z3="25.6602"
                           zFract="0.65769583"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.52074"
                           xFract="0.26318075"
                           y3="15.31692"
                           yFract="0.96904506"
                           z3="12.74453"
                           zFract="0.32665467"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.45221"
                           xFract="0.2560258"
                           y3="10.74902"
                           yFract="0.68005087"
                           z3="16.37055"
                           zFract="0.41959308"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="0.11137"
                           xFract="0.01162771"
                           y3="13.37561"
                           yFract="0.84622553"
                           z3="15.0197"
                           zFract="0.38496949"/>
                     <atom elementType="Mg"
                           id="a22"
                           x3="2.3623"
                           xFract="0.24663864"
                           y3="5.35419"
                           yFract="0.33873986"
                           z3="14.76992"
                           zFract="0.37856738"/>
                     <atom elementType="Mg"
                           id="a23"
                           x3="4.7704"
                           xFract="0.49805909"
                           y3="2.92569"
                           yFract="0.18509762"
                           z3="16.22403"
                           zFract="0.41583763"/>
                     <atom elementType="Mg"
                           id="a24"
                           x3="0.05429"
                           xFract="0.00566821"
                           y3="7.21398"
                           yFract="0.45640192"
                           z3="12.90956"
                           zFract="0.33088455"/>
                     <atom elementType="Mg"
                           id="a25"
                           x3="2.4792"
                           xFract="0.25884372"
                           y3="0.36751"
                           yFract="0.023251"
                           z3="15.64916"
                           zFract="0.40110316"/>
                     <atom elementType="Mg"
                           id="a26"
                           x3="0.06102"
                           xFract="0.00637086"
                           y3="12.59186"
                           yFract="0.79664056"
                           z3="11.53811"
                           zFract="0.29573296"/>
                     <atom elementType="Mg"
                           id="a27"
                           x3="0.0486"
                           xFract="0.00507414"
                           y3="8.18523"
                           yFract="0.51784932"
                           z3="15.69701"
                           zFract="0.4023296"/>
                     <atom elementType="Mg"
                           id="a28"
                           x3="2.45615"
                           xFract="0.25643716"
                           y3="13.78778"
                           yFract="0.87230201"
                           z3="17.59536"
                           zFract="0.45098615"/>
                     <atom elementType="Mg"
                           id="a29"
                           x3="2.20722"
                           xFract="0.23044734"
                           y3="2.64795"
                           yFract="0.16752603"
                           z3="13.19671"
                           zFract="0.33824448"/>
                     <atom elementType="Mg"
                           id="a30"
                           x3="2.45538"
                           xFract="0.25635677"
                           y3="9.14125"
                           yFract="0.57833319"
                           z3="21.47273"
                           zFract="0.55036691"/>
                     <atom elementType="Mg"
                           id="a31"
                           x3="0.07673"
                           xFract="0.00801108"
                           y3="10.29483"
                           yFract="0.65131594"
                           z3="13.38361"
                           zFract="0.34303491"/>
                     <atom elementType="Mg"
                           id="a32"
                           x3="7.15537"
                           xFract="0.74706462"
                           y3="7.6401"
                           yFract="0.48336096"
                           z3="26.31299"
                           zFract="0.67442747"/>
                     <atom elementType="Mg"
                           id="a33"
                           x3="4.86576"
                           xFract="0.50801526"
                           y3="10.29474"
                           yFract="0.65131025"
                           z3="13.38354"
                           zFract="0.34303312"/>
                     <atom elementType="Mg"
                           id="a34"
                           x3="4.79248"
                           xFract="0.50036438"
                           y3="10.41637"
                           yFract="0.65900533"
                           z3="27.57307"
                           zFract="0.70672454"/>
                     <atom elementType="Mg"
                           id="a35"
                           x3="7.2714"
                           xFract="0.75917887"
                           y3="6.16199"
                           yFract="0.38984639"
                           z3="20.28232"
                           zFract="0.51985554"/>
                     <atom elementType="Mg"
                           id="a36"
                           x3="7.34574"
                           xFract="0.76694042"
                           y3="1.78059"
                           yFract="0.11265136"
                           z3="24.2987"
                           zFract="0.62279926"/>
                     <atom elementType="Mg"
                           id="a37"
                           x3="4.93532"
                           xFract="0.51527775"
                           y3="4.19716"
                           yFract="0.26553884"
                           z3="22.84098"
                           zFract="0.58543648"/>
                     <atom elementType="Mg"
                           id="a38"
                           x3="4.87874"
                           xFract="0.50937045"
                           y3="8.78786"
                           yFract="0.5559755"
                           z3="18.7944"
                           zFract="0.48171871"/>
                     <atom elementType="Mg"
                           id="a39"
                           x3="7.21764"
                           xFract="0.75356599"
                           y3="0.96779"
                           yFract="0.06122851"
                           z3="18.79158"
                           zFract="0.48164643"/>
                     <atom elementType="Mg"
                           id="a40"
                           x3="7.23293"
                           xFract="0.75516236"
                           y3="12.16179"
                           yFract="0.76943162"
                           z3="22.71532"
                           zFract="0.58221569"/>
                     <atom elementType="Mg"
                           id="a41"
                           x3="0.00594"
                           xFract="0.00062017"
                           y3="9.55282"
                           yFract="0.6043717"
                           z3="24.03798"
                           zFract="0.61611675"/>
                     <atom elementType="Mg"
                           id="a42"
                           x3="0.02998"
                           xFract="0.0031301"
                           y3="14.14486"
                           yFract="0.89489314"
                           z3="20.27614"
                           zFract="0.51969714"/>
                     <atom elementType="Mg"
                           id="a43"
                           x3="7.22011"
                           xFract="0.75382388"
                           y3="6.76255"
                           yFract="0.42784161"
                           z3="23.41871"
                           zFract="0.60024426"/>
                     <atom elementType="Mg"
                           id="a44"
                           x3="7.24045"
                           xFract="0.7559475"
                           y3="11.46743"
                           yFract="0.72550202"
                           z3="19.53532"
                           zFract="0.50070921"/>
                     <atom elementType="Mg"
                           id="a45"
                           x3="4.85032"
                           xFract="0.50640323"
                           y3="3.56457"
                           yFract="0.2255172"
                           z3="19.53501"
                           zFract="0.50070126"/>
                     <atom elementType="Mg"
                           id="a46"
                           x3="4.86063"
                           xFract="0.50747966"
                           y3="14.75698"
                           yFract="0.93361972"
                           z3="23.35834"
                           zFract="0.59869692"/>
                     <atom elementType="Mg"
                           id="a47"
                           x3="4.83054"
                           xFract="0.50433808"
                           y3="5.8235"
                           yFract="0.36843138"
                           z3="17.54038"
                           zFract="0.44957696"/>
                     <atom elementType="Mg"
                           id="a48"
                           x3="7.48698"
                           xFract="0.78168674"
                           y3="4.49147"
                           yFract="0.28415875"
                           z3="25.8736"
                           zFract="0.66316548"/>
                     <atom elementType="Mg"
                           id="a49"
                           x3="4.87497"
                           xFract="0.50897684"
                           y3="1.30499"
                           yFract="0.08256191"
                           z3="21.52523"
                           zFract="0.55171253"/>
                     <atom elementType="Mg"
                           id="a50"
                           x3="4.8738"
                           xFract="0.50885469"
                           y3="12.58763"
                           yFract="0.79637294"
                           z3="25.5579"
                           zFract="0.65507378"/>
                     <atom elementType="Mg"
                           id="a51"
                           x3="7.31009"
                           xFract="0.76321834"
                           y3="15.31677"
                           yFract="0.96903557"
                           z3="12.7439"
                           zFract="0.32663852"/>
                     <atom elementType="Mg"
                           id="a52"
                           x3="7.2414"
                           xFract="0.75604668"
                           y3="10.74854"
                           yFract="0.6800205"
                           z3="16.37115"
                           zFract="0.41960846"/>
                     <atom elementType="Mg"
                           id="a53"
                           x3="4.90007"
                           xFract="0.51159743"
                           y3="13.3755"
                           yFract="0.84621857"
                           z3="15.01964"
                           zFract="0.38496795"/>
                     <atom elementType="Mg"
                           id="a54"
                           x3="7.15144"
                           xFract="0.7466543"
                           y3="5.35392"
                           yFract="0.33872278"
                           z3="14.77028"
                           zFract="0.37857661"/>
                     <atom elementType="Mg"
                           id="a55"
                           x3="9.55903"
                           xFract="0.9980215"
                           y3="2.92631"
                           yFract="0.18513685"
                           z3="16.22421"
                           zFract="0.41584225"/>
                     <atom elementType="Mg"
                           id="a56"
                           x3="4.84286"
                           xFract="0.50562436"
                           y3="7.21378"
                           yFract="0.45638926"
                           z3="12.91022"
                           zFract="0.33090147"/>
                     <atom elementType="Mg"
                           id="a57"
                           x3="7.2675"
                           xFract="0.75877168"
                           y3="0.36751"
                           yFract="0.023251"
                           z3="15.64893"
                           zFract="0.40109726"/>
                     <atom elementType="Mg"
                           id="a58"
                           x3="4.85124"
                           xFract="0.50649928"
                           y3="12.5930"
                           yFract="0.79671268"
                           z3="11.53902"
                           zFract="0.29575628"/>
                     <atom elementType="Mg"
                           id="a59"
                           x3="4.83783"
                           xFract="0.5050992"
                           y3="8.18629"
                           yFract="0.51791639"
                           z3="15.69811"
                           zFract="0.40235779"/>
                     <atom elementType="Mg"
                           id="a60"
                           x3="7.24529"
                           xFract="0.75645282"
                           y3="13.78832"
                           yFract="0.87233617"
                           z3="17.59599"
                           zFract="0.4510023"/>
                     <atom elementType="Mg"
                           id="a61"
                           x3="6.99612"
                           xFract="0.73043794"
                           y3="2.64809"
                           yFract="0.16753489"
                           z3="13.19686"
                           zFract="0.33824833"/>
                     <atom elementType="Mg"
                           id="a62"
                           x3="7.2389"
                           xFract="0.75578567"
                           y3="9.1477"
                           yFract="0.57874125"
                           z3="21.47757"
                           zFract="0.55049096"/>
                     <atom elementType="Mg"
                           id="a63"
                           x3="0.04121"
                           xFract="0.00430258"
                           y3="5.8234"
                           yFract="0.36842505"
                           z3="17.54183"
                           zFract="0.44961413"/>
                     <atom elementType="Mg"
                           id="a64"
                           x3="4.88966"
                           xFract="0.51051057"
                           y3="15.70891"
                           yFract="0.99384482"
                           z3="26.1358"
                           zFract="0.66988592"/>
                     <atom elementType="O"
                           id="a65"
                           x3="5.90595"
                           xFract="0.61661749"
                           y3="5.93519"
                           yFract="0.37549759"
                           z3="22.05803"
                           zFract="0.56536871"/>
                     <atom elementType="O"
                           id="a66"
                           x3="5.91067"
                           xFract="0.61711029"
                           y3="12.96217"
                           yFract="0.82006871"
                           z3="18.95695"
                           zFract="0.48588502"/>
                     <atom elementType="O"
                           id="a67"
                           x3="5.91083"
                           xFract="0.61712699"
                           y3="8.40381"
                           yFract="0.53167808"
                           z3="22.87836"
                           zFract="0.58639457"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.32443"
                           xFract="0.86912167"
                           y3="13.19857"
                           yFract="0.83502486"
                           z3="24.11385"
                           zFract="0.61806138"/>
                     <atom elementType="O"
                           id="a69"
                           x3="8.3304"
                           xFract="0.86974498"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           yFract="0.76940315"
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                           yFract="0.89470967"
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                           yFract="0.42719756"
                           z3="23.41793"
                           zFract="0.60022427"/>
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                           z3="19.53341"
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                           y3="14.74267"
                           yFract="0.93271438"
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                           y3="7.59645"
                           yFract="0.48059939"
                           z3="26.30287"
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                           yFract="0.65130961"
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                     <bond atomRefs2="a79 a197" order="S"/>
                     <bond atomRefs2="a80 a216" order="S"/>
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                     <bond atomRefs2="a82 a215" order="S"/>
                     <bond atomRefs2="a83 a220" order="S"/>
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                     <bond atomRefs2="a86 a213" order="S"/>
                     <bond atomRefs2="a87 a212" order="S"/>
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                     <bond atomRefs2="a89 a195" order="S"/>
                     <bond atomRefs2="a90 a212" order="S"/>
                     <bond atomRefs2="a91 a209" order="S"/>
                     <bond atomRefs2="a92 a211" order="S"/>
                     <bond atomRefs2="a93 a218" order="S"/>
                     <bond atomRefs2="a94 a209" order="S"/>
                     <bond atomRefs2="a95 a223" order="S"/>
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                     <bond atomRefs2="a97 a210" order="S"/>
                     <bond atomRefs2="a98 a223" order="S"/>
                     <bond atomRefs2="a99 a205" order="S"/>
                     <bond atomRefs2="a100 a223" order="S"/>
                     <bond atomRefs2="a101 a213" order="S"/>
                     <bond atomRefs2="a102 a194" order="S"/>
                     <bond atomRefs2="a103 a194" order="S"/>
                     <bond atomRefs2="a104 a224" order="S"/>
                     <bond atomRefs2="a105 a201" order="S"/>
                     <bond atomRefs2="a107 a193" order="S"/>
                     <bond atomRefs2="a108 a206" order="S"/>
                     <bond atomRefs2="a109 a203" order="S"/>
                     <bond atomRefs2="a110 a193" order="S"/>
                     <bond atomRefs2="a111 a203" order="S"/>
                     <bond atomRefs2="a112 a204" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a115 a201" order="S"/>
                     <bond atomRefs2="a116 a204" order="S"/>
                     <bond atomRefs2="a117 a210" order="S"/>
                     <bond atomRefs2="a118 a201" order="S"/>
                     <bond atomRefs2="a119 a205" order="S"/>
                     <bond atomRefs2="a120 a215" order="S"/>
                     <bond atomRefs2="a121 a223" order="S"/>
                     <bond atomRefs2="a122 a202" order="S"/>
                     <bond atomRefs2="a123 a199" order="S"/>
                     <bond atomRefs2="a124 a200" order="S"/>
                     <bond atomRefs2="a125 a203" order="S"/>
                     <bond atomRefs2="a126 a193" order="S"/>
                     <bond atomRefs2="a127 a204" order="S"/>
                     <bond atomRefs2="a129 a201" order="S"/>
                     <bond atomRefs2="a130 a206" order="S"/>
                     <bond atomRefs2="a131 a221" order="S"/>
                     <bond atomRefs2="a132 a222" order="S"/>
                     <bond atomRefs2="a133 a204" order="S"/>
                     <bond atomRefs2="a135 a193" order="S"/>
                     <bond atomRefs2="a136 a206" order="S"/>
                     <bond atomRefs2="a137 a220" order="S"/>
                     <bond atomRefs2="a138 a198" order="S"/>
                     <bond atomRefs2="a139 a197" order="S"/>
                     <bond atomRefs2="a140 a206" order="S"/>
                     <bond atomRefs2="a141 a199" order="S"/>
                     <bond atomRefs2="a142 a202" order="S"/>
                     <bond atomRefs2="a143 a200" order="S"/>
                     <bond atomRefs2="a144 a224" order="S"/>
                     <bond atomRefs2="a145 a207" order="S"/>
                     <bond atomRefs2="a146 a200" order="S"/>
                     <bond atomRefs2="a147 a199" order="S"/>
                     <bond atomRefs2="a148 a208" order="S"/>
                     <bond atomRefs2="a149 a195" order="S"/>
                     <bond atomRefs2="a150 a198" order="S"/>
                     <bond atomRefs2="a152 a203" order="S"/>
                     <bond atomRefs2="a153 a215" order="S"/>
                     <bond atomRefs2="a154 a214" order="S"/>
                     <bond atomRefs2="a155 a200" order="S"/>
                     <bond atomRefs2="a156 a199" order="S"/>
                     <bond atomRefs2="a159 a196" order="S"/>
                     <bond atomRefs2="a160 a195" order="S"/>
                     <bond atomRefs2="a161 a197" order="S"/>
                     <bond atomRefs2="a162 a197" order="S"/>
                     <bond atomRefs2="a163 a196" order="S"/>
                     <bond atomRefs2="a164 a207" order="S"/>
                     <bond atomRefs2="a165 a198" order="S"/>
                     <bond atomRefs2="a168 a217" order="S"/>
                     <bond atomRefs2="a169 a218" order="S"/>
                     <bond atomRefs2="a170 a219" order="S"/>
                     <bond atomRefs2="a171 a208" order="S"/>
                     <bond atomRefs2="a172 a220" order="S"/>
                     <bond atomRefs2="a173 a221" order="S"/>
                     <bond atomRefs2="a174 a221" order="S"/>
                     <bond atomRefs2="a175 a222" order="S"/>
                     <bond atomRefs2="a176 a208" order="S"/>
                     <bond atomRefs2="a178 a219" order="S"/>
                     <bond atomRefs2="a179 a205" order="S"/>
                     <bond atomRefs2="a180 a202" order="S"/>
                     <bond atomRefs2="a181 a195" order="S"/>
                     <bond atomRefs2="a182 a196" order="S"/>
                     <bond atomRefs2="a183 a207" order="S"/>
                     <bond atomRefs2="a184 a220" order="S"/>
                     <bond atomRefs2="a185 a208" order="S"/>
                     <bond atomRefs2="a186 a222" order="S"/>
                     <bond atomRefs2="a188 a217" order="S"/>
                     <bond atomRefs2="a189 a216" order="S"/>
                     <bond atomRefs2="a190 a219" order="S"/>
                     <bond atomRefs2="a191 a217" order="S"/>
                     <bond atomRefs2="a192 a216" order="S"/>
                     <bond atomRefs2="a225 a226" order="S"/>
                     <bond atomRefs2="a226 a230" order="S"/>
                     <bond atomRefs2="a226 a227" order="S"/>
                     <bond atomRefs2="a226 a228" order="S"/>
                     <bond atomRefs2="a229 a230" order="S"/>
                  </bondArray>
                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.13">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Mg"
                           id="a1"
                           x3="0.05961"
                           xFract="0.00622365"
                           y3="15.72748"
                           yFract="0.99501968"
                           z3="26.1475"
                           zFract="0.6701858"/>
                     <atom elementType="Mg"
                           id="a2"
                           x3="0.11181"
                           xFract="0.01167365"
                           y3="10.31761"
                           yFract="0.65275715"
                           z3="27.46831"
                           zFract="0.70403944"/>
                     <atom elementType="Mg"
                           id="a3"
                           x3="2.48783"
                           xFract="0.25974475"
                           y3="6.15769"
                           yFract="0.38957434"
                           z3="20.28162"
                           zFract="0.5198376"/>
                     <atom elementType="Mg"
                           id="a4"
                           x3="2.55035"
                           xFract="0.26627222"
                           y3="1.77462"
                           yFract="0.11227366"
                           z3="24.30697"
                           zFract="0.62301123"/>
                     <atom elementType="Mg"
                           id="a5"
                           x3="0.14429"
                           xFract="0.01506476"
                           y3="4.20505"
                           yFract="0.26603801"
                           z3="22.85445"
                           zFract="0.58578173"/>
                     <atom elementType="Mg"
                           id="a6"
                           x3="0.08837"
                           xFract="0.00922637"
                           y3="8.78768"
                           yFract="0.55596412"
                           z3="18.79142"
                           zFract="0.48164233"/>
                     <atom elementType="Mg"
                           id="a7"
                           x3="2.42725"
                           xFract="0.25341982"
                           y3="0.96746"
                           yFract="0.06120763"
                           z3="18.79118"
                           zFract="0.48163618"/>
                     <atom elementType="Mg"
                           id="a8"
                           x3="2.42949"
                           xFract="0.25365369"
                           y3="12.16138"
                           yFract="0.76940568"
                           z3="22.7029"
                           zFract="0.58189736"/>
                     <atom elementType="Mg"
                           id="a9"
                           x3="4.78364"
                           xFract="0.49944143"
                           y3="9.56805"
                           yFract="0.60533525"
                           z3="24.08538"
                           zFract="0.61733166"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="4.81923"
                           xFract="0.50315724"
                           y3="14.14197"
                           yFract="0.8947103"
                           z3="20.27725"
                           zFract="0.51972559"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.43488"
                           xFract="0.25421644"
                           y3="6.75236"
                           yFract="0.42719692"
                           z3="23.41792"
                           zFract="0.60022401"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.45529"
                           xFract="0.25634737"
                           y3="11.46571"
                           yFract="0.7253932"
                           z3="19.53341"
                           zFract="0.50066025"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.06372"
                           xFract="0.00665276"
                           y3="3.5647"
                           yFract="0.22552543"
                           z3="19.53711"
                           zFract="0.50075509"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.07054"
                           xFract="0.00736481"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.36466"
                           zFract="0.59885891"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.40651"
                           xFract="0.25125444"
                           y3="7.59642"
                           yFract="0.48059749"
                           z3="26.30287"
                           zFract="0.67416808"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.70719"
                           xFract="0.28264728"
                           y3="4.46512"
                           yFract="0.28249168"
                           z3="25.87732"
                           zFract="0.66326082"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.08338"
                           xFract="0.00870538"
                           y3="1.30532"
                           yFract="0.08258278"
                           z3="21.53418"
                           zFract="0.55194193"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.04303"
                           xFract="0.0044926"
                           y3="12.6244"
                           yFract="0.79869924"
                           z3="25.6602"
                           zFract="0.65769583"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.52079"
                           xFract="0.26318597"
                           y3="15.31684"
                           yFract="0.96904"
                           z3="12.74443"
                           zFract="0.32665211"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.45225"
                           xFract="0.25602998"
                           y3="10.74896"
                           yFract="0.68004707"
                           z3="16.37051"
                           zFract="0.41959206"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="0.11139"
                           xFract="0.0116298"
                           y3="13.37561"
                           yFract="0.84622553"
                           z3="15.01967"
                           zFract="0.38496872"/>
                     <atom elementType="Mg"
                           id="a22"
                           x3="2.36232"
                           xFract="0.24664073"
                           y3="5.35417"
                           yFract="0.3387386"
                           z3="14.76992"
                           zFract="0.37856738"/>
                     <atom elementType="Mg"
                           id="a23"
                           x3="4.77044"
                           xFract="0.49806327"
                           y3="2.92569"
                           yFract="0.18509762"
                           z3="16.22401"
                           zFract="0.41583712"/>
                     <atom elementType="Mg"
                           id="a24"
                           x3="0.05432"
                           xFract="0.00567134"
                           y3="7.21398"
                           yFract="0.45640192"
                           z3="12.90947"
                           zFract="0.33088224"/>
                     <atom elementType="Mg"
                           id="a25"
                           x3="2.47923"
                           xFract="0.25884685"
                           y3="0.36749"
                           yFract="0.02324974"
                           z3="15.64916"
                           zFract="0.40110316"/>
                     <atom elementType="Mg"
                           id="a26"
                           x3="0.06109"
                           xFract="0.00637817"
                           y3="12.59188"
                           yFract="0.79664182"
                           z3="11.53799"
                           zFract="0.29572988"/>
                     <atom elementType="Mg"
                           id="a27"
                           x3="0.04863"
                           xFract="0.00507727"
                           y3="8.18523"
                           yFract="0.51784932"
                           z3="15.69703"
                           zFract="0.40233011"/>
                     <atom elementType="Mg"
                           id="a28"
                           x3="2.45621"
                           xFract="0.25644343"
                           y3="13.78777"
                           yFract="0.87230138"
                           z3="17.59536"
                           zFract="0.45098615"/>
                     <atom elementType="Mg"
                           id="a29"
                           x3="2.20726"
                           xFract="0.23045151"
                           y3="2.6479"
                           yFract="0.16752287"
                           z3="13.19672"
                           zFract="0.33824474"/>
                     <atom elementType="Mg"
                           id="a30"
                           x3="2.45536"
                           xFract="0.25635468"
                           y3="9.14122"
                           yFract="0.57833129"
                           z3="21.4727"
                           zFract="0.55036614"/>
                     <atom elementType="Mg"
                           id="a31"
                           x3="0.07676"
                           xFract="0.00801422"
                           y3="10.29479"
                           yFract="0.65131341"
                           z3="13.38359"
                           zFract="0.3430344"/>
                     <atom elementType="Mg"
                           id="a32"
                           x3="7.15537"
                           xFract="0.74706462"
                           y3="7.64009"
                           yFract="0.48336033"
                           z3="26.31296"
                           zFract="0.6744267"/>
                     <atom elementType="Mg"
                           id="a33"
                           x3="4.86579"
                           xFract="0.50801839"
                           y3="10.29473"
                           yFract="0.65130961"
                           z3="13.38352"
                           zFract="0.34303261"/>
                     <atom elementType="Mg"
                           id="a34"
                           x3="4.79222"
                           xFract="0.50033723"
                           y3="10.41659"
                           yFract="0.65901925"
                           z3="27.5735"
                           zFract="0.70673556"/>
                     <atom elementType="Mg"
                           id="a35"
                           x3="7.27142"
                           xFract="0.75918095"
                           y3="6.16199"
                           yFract="0.38984639"
                           z3="20.28228"
                           zFract="0.51985452"/>
                     <atom elementType="Mg"
                           id="a36"
                           x3="7.34574"
                           xFract="0.76694042"
                           y3="1.78059"
                           yFract="0.11265136"
                           z3="24.29865"
                           zFract="0.62279798"/>
                     <atom elementType="Mg"
                           id="a37"
                           x3="4.93535"
                           xFract="0.51528088"
                           y3="4.19714"
                           yFract="0.26553757"
                           z3="22.84097"
                           zFract="0.58543623"/>
                     <atom elementType="Mg"
                           id="a38"
                           x3="4.87876"
                           xFract="0.50937254"
                           y3="8.78784"
                           yFract="0.55597424"
                           z3="18.79435"
                           zFract="0.48171743"/>
                     <atom elementType="Mg"
                           id="a39"
                           x3="7.21766"
                           xFract="0.75356808"
                           y3="0.96779"
                           yFract="0.06122851"
                           z3="18.79152"
                           zFract="0.48164489"/>
                     <atom elementType="Mg"
                           id="a40"
                           x3="7.23295"
                           xFract="0.75516445"
                           y3="12.16179"
                           yFract="0.76943162"
                           z3="22.71525"
                           zFract="0.5822139"/>
                     <atom elementType="Mg"
                           id="a41"
                           x3="0.00597"
                           xFract="0.0006233"
                           y3="9.55281"
                           yFract="0.60437107"
                           z3="24.03792"
                           zFract="0.61611522"/>
                     <atom elementType="Mg"
                           id="a42"
                           x3="0.02999"
                           xFract="0.00313114"
                           y3="14.14485"
                           yFract="0.89489251"
                           z3="20.27615"
                           zFract="0.5196974"/>
                     <atom elementType="Mg"
                           id="a43"
                           x3="7.22013"
                           xFract="0.75382596"
                           y3="6.76254"
                           yFract="0.42784097"
                           z3="23.41865"
                           zFract="0.60024273"/>
                     <atom elementType="Mg"
                           id="a44"
                           x3="7.24048"
                           xFract="0.75595063"
                           y3="11.46744"
                           yFract="0.72550265"
                           z3="19.53528"
                           zFract="0.50070818"/>
                     <atom elementType="Mg"
                           id="a45"
                           x3="4.85034"
                           xFract="0.50640532"
                           y3="3.56456"
                           yFract="0.22551657"
                           z3="19.53497"
                           zFract="0.50070024"/>
                     <atom elementType="Mg"
                           id="a46"
                           x3="4.86058"
                           xFract="0.50747444"
                           y3="14.75697"
                           yFract="0.93361909"
                           z3="23.35835"
                           zFract="0.59869718"/>
                     <atom elementType="Mg"
                           id="a47"
                           x3="4.83056"
                           xFract="0.50434016"
                           y3="5.82351"
                           yFract="0.36843201"
                           z3="17.54036"
                           zFract="0.44957645"/>
                     <atom elementType="Mg"
                           id="a48"
                           x3="7.48698"
                           xFract="0.78168674"
                           y3="4.49142"
                           yFract="0.28415558"
                           z3="25.8736"
                           zFract="0.66316548"/>
                     <atom elementType="Mg"
                           id="a49"
                           x3="4.87499"
                           xFract="0.50897893"
                           y3="1.30497"
                           yFract="0.08256064"
                           z3="21.5252"
                           zFract="0.55171176"/>
                     <atom elementType="Mg"
                           id="a50"
                           x3="4.87391"
                           xFract="0.50886617"
                           y3="12.58761"
                           yFract="0.79637168"
                           z3="25.55795"
                           zFract="0.65507506"/>
                     <atom elementType="Mg"
                           id="a51"
                           x3="7.31013"
                           xFract="0.76322252"
                           y3="15.31674"
                           yFract="0.96903367"
                           z3="12.74387"
                           zFract="0.32663775"/>
                     <atom elementType="Mg"
                           id="a52"
                           x3="7.24146"
                           xFract="0.75605295"
                           y3="10.74853"
                           yFract="0.68001987"
                           z3="16.37113"
                           zFract="0.41960795"/>
                     <atom elementType="Mg"
                           id="a53"
                           x3="4.9001"
                           xFract="0.51160057"
                           y3="13.37549"
                           yFract="0.84621794"
                           z3="15.0196"
                           zFract="0.38496692"/>
                     <atom elementType="Mg"
                           id="a54"
                           x3="7.15147"
                           xFract="0.74665744"
                           y3="5.35395"
                           yFract="0.33872468"
                           z3="14.77027"
                           zFract="0.37857635"/>
                     <atom elementType="Mg"
                           id="a55"
                           x3="9.55908"
                           xFract="0.99802672"
                           y3="2.92629"
                           yFract="0.18513558"
                           z3="16.22422"
                           zFract="0.4158425"/>
                     <atom elementType="Mg"
                           id="a56"
                           x3="4.84295"
                           xFract="0.50563376"
                           y3="7.21378"
                           yFract="0.45638926"
                           z3="12.91015"
                           zFract="0.33089967"/>
                     <atom elementType="Mg"
                           id="a57"
                           x3="7.26755"
                           xFract="0.7587769"
                           y3="0.36747"
                           yFract="0.02324847"
                           z3="15.64894"
                           zFract="0.40109752"/>
                     <atom elementType="Mg"
                           id="a58"
                           x3="4.85127"
                           xFract="0.50650241"
                           y3="12.59303"
                           yFract="0.79671458"
                           z3="11.53887"
                           zFract="0.29575244"/>
                     <atom elementType="Mg"
                           id="a59"
                           x3="4.83787"
                           xFract="0.50510337"
                           y3="8.18629"
                           yFract="0.51791639"
                           z3="15.69809"
                           zFract="0.40235728"/>
                     <atom elementType="Mg"
                           id="a60"
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a143 a200" order="S"/>
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                     <bond atomRefs2="a150 a198" order="S"/>
                     <bond atomRefs2="a152 a203" order="S"/>
                     <bond atomRefs2="a153 a215" order="S"/>
                     <bond atomRefs2="a154 a214" order="S"/>
                     <bond atomRefs2="a155 a200" order="S"/>
                     <bond atomRefs2="a156 a199" order="S"/>
                     <bond atomRefs2="a159 a196" order="S"/>
                     <bond atomRefs2="a160 a195" order="S"/>
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                     <bond atomRefs2="a162 a197" order="S"/>
                     <bond atomRefs2="a163 a196" order="S"/>
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                     <bond atomRefs2="a165 a198" order="S"/>
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                     <bond atomRefs2="a170 a219" order="S"/>
                     <bond atomRefs2="a171 a208" order="S"/>
                     <bond atomRefs2="a172 a220" order="S"/>
                     <bond atomRefs2="a173 a221" order="S"/>
                     <bond atomRefs2="a174 a221" order="S"/>
                     <bond atomRefs2="a175 a222" order="S"/>
                     <bond atomRefs2="a176 a208" order="S"/>
                     <bond atomRefs2="a178 a219" order="S"/>
                     <bond atomRefs2="a179 a205" order="S"/>
                     <bond atomRefs2="a180 a202" order="S"/>
                     <bond atomRefs2="a181 a195" order="S"/>
                     <bond atomRefs2="a182 a196" order="S"/>
                     <bond atomRefs2="a183 a207" order="S"/>
                     <bond atomRefs2="a184 a220" order="S"/>
                     <bond atomRefs2="a185 a208" order="S"/>
                     <bond atomRefs2="a186 a222" order="S"/>
                     <bond atomRefs2="a188 a217" order="S"/>
                     <bond atomRefs2="a189 a216" order="S"/>
                     <bond atomRefs2="a190 a219" order="S"/>
                     <bond atomRefs2="a191 a217" order="S"/>
                     <bond atomRefs2="a192 a216" order="S"/>
                     <bond atomRefs2="a225 a226" order="S"/>
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                     <bond atomRefs2="a226 a227" order="S"/>
                     <bond atomRefs2="a226 a228" order="S"/>
                     <bond atomRefs2="a229 a230" order="S"/>
                  </bondArray>
                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                  <atomArray>
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                           x3="0.05961"
                           xFract="0.00622365"
                           y3="15.72749"
                           yFract="0.99502031"
                           z3="26.14748"
                           zFract="0.67018529"/>
                     <atom elementType="Mg"
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                           xFract="0.01168409"
                           y3="10.31761"
                           yFract="0.65275715"
                           z3="27.46829"
                           zFract="0.70403893"/>
                     <atom elementType="Mg"
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                           x3="2.48783"
                           xFract="0.25974475"
                           y3="6.15768"
                           yFract="0.38957371"
                           z3="20.28158"
                           zFract="0.51983658"/>
                     <atom elementType="Mg"
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                           x3="2.55035"
                           xFract="0.26627222"
                           y3="1.77463"
                           yFract="0.1122743"
                           z3="24.30694"
                           zFract="0.62301046"/>
                     <atom elementType="Mg"
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                           x3="0.14427"
                           xFract="0.01506268"
                           y3="4.20505"
                           yFract="0.26603801"
                           z3="22.85444"
                           zFract="0.58578148"/>
                     <atom elementType="Mg"
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                           x3="0.08836"
                           xFract="0.00922533"
                           y3="8.78768"
                           yFract="0.55596412"
                           z3="18.79139"
                           zFract="0.48164156"/>
                     <atom elementType="Mg"
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                           x3="2.42724"
                           xFract="0.25341878"
                           y3="0.96746"
                           yFract="0.06120763"
                           z3="18.79115"
                           zFract="0.48163541"/>
                     <atom elementType="Mg"
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                           x3="2.42946"
                           xFract="0.25365056"
                           y3="12.16135"
                           yFract="0.76940378"
                           z3="22.70288"
                           zFract="0.58189685"/>
                     <atom elementType="Mg"
                           id="a9"
                           x3="4.78362"
                           xFract="0.49943934"
                           y3="9.56804"
                           yFract="0.60533462"
                           z3="24.08533"
                           zFract="0.61733038"/>
                     <atom elementType="Mg"
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                           x3="4.81923"
                           xFract="0.50315724"
                           y3="14.14196"
                           yFract="0.89470967"
                           z3="20.27721"
                           zFract="0.51972457"/>
                     <atom elementType="Mg"
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                           x3="2.43487"
                           xFract="0.2542154"
                           y3="6.75237"
                           yFract="0.42719756"
                           z3="23.4179"
                           zFract="0.6002235"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.45529"
                           xFract="0.25634737"
                           y3="11.46569"
                           yFract="0.72539193"
                           z3="19.53339"
                           zFract="0.50065974"/>
                     <atom elementType="Mg"
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                           x3="0.06372"
                           xFract="0.00665276"
                           y3="3.5647"
                           yFract="0.22552543"
                           z3="19.53707"
                           zFract="0.50075406"/>
                     <atom elementType="Mg"
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                           x3="0.07054"
                           xFract="0.00736481"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.36462"
                           zFract="0.59885788"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.40653"
                           xFract="0.25125653"
                           y3="7.59641"
                           yFract="0.48059685"
                           z3="26.30286"
                           zFract="0.67416783"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.70718"
                           xFract="0.28264624"
                           y3="4.46511"
                           yFract="0.28249105"
                           z3="25.87733"
                           zFract="0.66326108"/>
                     <atom elementType="Mg"
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                           x3="0.08337"
                           xFract="0.00870434"
                           y3="1.30532"
                           yFract="0.08258278"
                           z3="21.53417"
                           zFract="0.55194167"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.04303"
                           xFract="0.0044926"
                           y3="12.62439"
                           yFract="0.79869861"
                           z3="25.66018"
                           zFract="0.65769531"/>
                     <atom elementType="Mg"
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                           x3="2.52078"
                           xFract="0.26318493"
                           y3="15.31681"
                           yFract="0.9690381"
                           z3="12.7444"
                           zFract="0.32665134"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.45225"
                           xFract="0.25602998"
                           y3="10.74893"
                           yFract="0.68004517"
                           z3="16.37047"
                           zFract="0.41959103"/>
                     <atom elementType="Mg"
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                           x3="0.11138"
                           xFract="0.01162876"
                           y3="13.3756"
                           yFract="0.8462249"
                           z3="15.01965"
                           zFract="0.3849682"/>
                     <atom elementType="Mg"
                           id="a22"
                           x3="2.36232"
                           xFract="0.24664073"
                           y3="5.35418"
                           yFract="0.33873923"
                           z3="14.76992"
                           zFract="0.37856738"/>
                     <atom elementType="Mg"
                           id="a23"
                           x3="4.77043"
                           xFract="0.49806222"
                           y3="2.92568"
                           yFract="0.18509699"
                           z3="16.2240"
                           zFract="0.41583686"/>
                     <atom elementType="Mg"
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                           x3="0.05432"
                           xFract="0.00567134"
                           y3="7.21398"
                           yFract="0.45640192"
                           z3="12.90946"
                           zFract="0.33088199"/>
                     <atom elementType="Mg"
                           id="a25"
                           x3="2.47922"
                           xFract="0.25884581"
                           y3="0.3675"
                           yFract="0.02325037"
                           z3="15.64914"
                           zFract="0.40110264"/>
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                           x3="0.06109"
                           xFract="0.00637817"
                           y3="12.59188"
                           yFract="0.79664182"
                           z3="11.53799"
                           zFract="0.29572988"/>
                     <atom elementType="Mg"
                           id="a27"
                           x3="0.04862"
                           xFract="0.00507623"
                           y3="8.18523"
                           yFract="0.51784932"
                           z3="15.6970"
                           zFract="0.40232934"/>
                     <atom elementType="Mg"
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                           x3="2.45622"
                           xFract="0.25644447"
                           y3="13.78777"
                           yFract="0.87230138"
                           z3="17.59534"
                           zFract="0.45098564"/>
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                           xFract="0.23045047"
                           y3="2.64788"
                           yFract="0.16752161"
                           z3="13.19672"
                           zFract="0.33824474"/>
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                           x3="2.45535"
                           xFract="0.25635364"
                           y3="9.14122"
                           yFract="0.57833129"
                           z3="21.4727"
                           zFract="0.55036614"/>
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                           x3="0.07675"
                           xFract="0.00801317"
                           y3="10.29479"
                           yFract="0.65131341"
                           z3="13.38359"
                           zFract="0.3430344"/>
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                           x3="7.15538"
                           xFract="0.74706567"
                           y3="7.64007"
                           yFract="0.48335906"
                           z3="26.31295"
                           zFract="0.67442644"/>
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                           xFract="0.5080163"
                           y3="10.29474"
                           yFract="0.65131025"
                           z3="13.38352"
                           zFract="0.34303261"/>
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                           xFract="0.50034245"
                           y3="10.41654"
                           yFract="0.65901608"
                           z3="27.57341"
                           zFract="0.70673326"/>
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                           xFract="0.75917991"
                           y3="6.16199"
                           yFract="0.38984639"
                           z3="20.28225"
                           zFract="0.51985375"/>
                     <atom elementType="Mg"
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                           x3="7.34575"
                           xFract="0.76694146"
                           y3="1.78059"
                           yFract="0.11265136"
                           z3="24.29863"
                           zFract="0.62279747"/>
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                           x3="4.93536"
                           xFract="0.51528193"
                           y3="4.19714"
                           yFract="0.26553757"
                           z3="22.84095"
                           zFract="0.58543571"/>
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                           xFract="0.50937358"
                           y3="8.78783"
                           yFract="0.55597361"
                           z3="18.79433"
                           zFract="0.48171692"/>
                     <atom elementType="Mg"
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                           x3="7.21766"
                           xFract="0.75356808"
                           y3="0.9678"
                           yFract="0.06122914"
                           z3="18.79149"
                           zFract="0.48164412"/>
                     <atom elementType="Mg"
                           id="a40"
                           x3="7.23295"
                           xFract="0.75516445"
                           y3="12.16178"
                           yFract="0.76943098"
                           z3="22.71523"
                           zFract="0.58221339"/>
                     <atom elementType="Mg"
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                           x3="0.00595"
                           xFract="0.00062122"
                           y3="9.55282"
                           yFract="0.6043717"
                           z3="24.03786"
                           zFract="0.61611368"/>
                     <atom elementType="Mg"
                           id="a42"
                           x3="0.02998"
                           xFract="0.0031301"
                           y3="14.14484"
                           yFract="0.89489188"
                           z3="20.27612"
                           zFract="0.51969663"/>
                     <atom elementType="Mg"
                           id="a43"
                           x3="7.22012"
                           xFract="0.75382492"
                           y3="6.76254"
                           yFract="0.42784097"
                           z3="23.41861"
                           zFract="0.6002417"/>
                     <atom elementType="Mg"
                           id="a44"
                           x3="7.24047"
                           xFract="0.75594958"
                           y3="11.46744"
                           yFract="0.72550265"
                           z3="19.53525"
                           zFract="0.50070741"/>
                     <atom elementType="Mg"
                           id="a45"
                           x3="4.85034"
                           xFract="0.50640532"
                           y3="3.56457"
                           yFract="0.2255172"
                           z3="19.53493"
                           zFract="0.50069921"/>
                     <atom elementType="Mg"
                           id="a46"
                           x3="4.86059"
                           xFract="0.50747548"
                           y3="14.75695"
                           yFract="0.93361782"
                           z3="23.35829"
                           zFract="0.59869564"/>
                     <atom elementType="Mg"
                           id="a47"
                           x3="4.83055"
                           xFract="0.50433912"
                           y3="5.82352"
                           yFract="0.36843264"
                           z3="17.54035"
                           zFract="0.44957619"/>
                     <atom elementType="Mg"
                           id="a48"
                           x3="7.48697"
                           xFract="0.7816857"
                           y3="4.4914"
                           yFract="0.28415432"
                           z3="25.8736"
                           zFract="0.66316548"/>
                     <atom elementType="Mg"
                           id="a49"
                           x3="4.87499"
                           xFract="0.50897893"
                           y3="1.30496"
                           yFract="0.08256001"
                           z3="21.52518"
                           zFract="0.55171125"/>
                     <atom elementType="Mg"
                           id="a50"
                           x3="4.87391"
                           xFract="0.50886617"
                           y3="12.58759"
                           yFract="0.79637041"
                           z3="25.55792"
                           zFract="0.65507429"/>
                     <atom elementType="Mg"
                           id="a51"
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                     <bond atomRefs2="a171 a208" order="S"/>
                     <bond atomRefs2="a172 a220" order="S"/>
                     <bond atomRefs2="a173 a221" order="S"/>
                     <bond atomRefs2="a174 a221" order="S"/>
                     <bond atomRefs2="a175 a222" order="S"/>
                     <bond atomRefs2="a176 a208" order="S"/>
                     <bond atomRefs2="a178 a219" order="S"/>
                     <bond atomRefs2="a179 a205" order="S"/>
                     <bond atomRefs2="a180 a202" order="S"/>
                     <bond atomRefs2="a181 a195" order="S"/>
                     <bond atomRefs2="a182 a196" order="S"/>
                     <bond atomRefs2="a183 a207" order="S"/>
                     <bond atomRefs2="a184 a220" order="S"/>
                     <bond atomRefs2="a185 a208" order="S"/>
                     <bond atomRefs2="a186 a222" order="S"/>
                     <bond atomRefs2="a188 a217" order="S"/>
                     <bond atomRefs2="a189 a216" order="S"/>
                     <bond atomRefs2="a190 a219" order="S"/>
                     <bond atomRefs2="a191 a217" order="S"/>
                     <bond atomRefs2="a192 a216" order="S"/>
                     <bond atomRefs2="a225 a226" order="S"/>
                     <bond atomRefs2="a226 a230" order="S"/>
                     <bond atomRefs2="a226 a227" order="S"/>
                     <bond atomRefs2="a226 a228" order="S"/>
                     <bond atomRefs2="a229 a230" order="S"/>
                  </bondArray>
                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.17">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Mg"
                           id="a1"
                           x3="0.05961"
                           xFract="0.00622365"
                           y3="15.72747"
                           yFract="0.99501904"
                           z3="26.14749"
                           zFract="0.67018554"/>
                     <atom elementType="Mg"
                           id="a2"
                           x3="0.11181"
                           xFract="0.01167365"
                           y3="10.31761"
                           yFract="0.65275715"
                           z3="27.46831"
                           zFract="0.70403944"/>
                     <atom elementType="Mg"
                           id="a3"
                           x3="2.48783"
                           xFract="0.25974475"
                           y3="6.15769"
                           yFract="0.38957434"
                           z3="20.28161"
                           zFract="0.51983735"/>
                     <atom elementType="Mg"
                           id="a4"
                           x3="2.55035"
                           xFract="0.26627222"
                           y3="1.77462"
                           yFract="0.11227366"
                           z3="24.30697"
                           zFract="0.62301123"/>
                     <atom elementType="Mg"
                           id="a5"
                           x3="0.14429"
                           xFract="0.01506476"
                           y3="4.20505"
                           yFract="0.26603801"
                           z3="22.85445"
                           zFract="0.58578173"/>
                     <atom elementType="Mg"
                           id="a6"
                           x3="0.08837"
                           xFract="0.00922637"
                           y3="8.78768"
                           yFract="0.55596412"
                           z3="18.79142"
                           zFract="0.48164233"/>
                     <atom elementType="Mg"
                           id="a7"
                           x3="2.42725"
                           xFract="0.25341982"
                           y3="0.96746"
                           yFract="0.06120763"
                           z3="18.79118"
                           zFract="0.48163618"/>
                     <atom elementType="Mg"
                           id="a8"
                           x3="2.42949"
                           xFract="0.25365369"
                           y3="12.16137"
                           yFract="0.76940504"
                           z3="22.7029"
                           zFract="0.58189736"/>
                     <atom elementType="Mg"
                           id="a9"
                           x3="4.78364"
                           xFract="0.49944143"
                           y3="9.56805"
                           yFract="0.60533525"
                           z3="24.08537"
                           zFract="0.61733141"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="4.81923"
                           xFract="0.50315724"
                           y3="14.14197"
                           yFract="0.8947103"
                           z3="20.27725"
                           zFract="0.51972559"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.43488"
                           xFract="0.25421644"
                           y3="6.75236"
                           yFract="0.42719692"
                           z3="23.41792"
                           zFract="0.60022401"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.45529"
                           xFract="0.25634737"
                           y3="11.46571"
                           yFract="0.7253932"
                           z3="19.53341"
                           zFract="0.50066025"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.06372"
                           xFract="0.00665276"
                           y3="3.5647"
                           yFract="0.22552543"
                           z3="19.5371"
                           zFract="0.50075483"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.07054"
                           xFract="0.00736481"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.36466"
                           zFract="0.59885891"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.40651"
                           xFract="0.25125444"
                           y3="7.59642"
                           yFract="0.48059749"
                           z3="26.30287"
                           zFract="0.67416808"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.70719"
                           xFract="0.28264728"
                           y3="4.46512"
                           yFract="0.28249168"
                           z3="25.87732"
                           zFract="0.66326082"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.08338"
                           xFract="0.00870538"
                           y3="1.30532"
                           yFract="0.08258278"
                           z3="21.53418"
                           zFract="0.55194193"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.04303"
                           xFract="0.0044926"
                           y3="12.6244"
                           yFract="0.79869924"
                           z3="25.66019"
                           zFract="0.65769557"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.52079"
                           xFract="0.26318597"
                           y3="15.31684"
                           yFract="0.96904"
                           z3="12.74443"
                           zFract="0.32665211"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.45225"
                           xFract="0.25602998"
                           y3="10.74896"
                           yFract="0.68004707"
                           z3="16.3705"
                           zFract="0.4195918"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="0.11139"
                           xFract="0.0116298"
                           y3="13.37561"
                           yFract="0.84622553"
                           z3="15.01967"
                           zFract="0.38496872"/>
                     <atom elementType="Mg"
                           id="a22"
                           x3="2.36232"
                           xFract="0.24664073"
                           y3="5.35417"
                           yFract="0.3387386"
                           z3="14.76992"
                           zFract="0.37856738"/>
                     <atom elementType="Mg"
                           id="a23"
                           x3="4.77044"
                           xFract="0.49806327"
                           y3="2.92569"
                           yFract="0.18509762"
                           z3="16.22401"
                           zFract="0.41583712"/>
                     <atom elementType="Mg"
                           id="a24"
                           x3="0.05432"
                           xFract="0.00567134"
                           y3="7.21398"
                           yFract="0.45640192"
                           z3="12.90947"
                           zFract="0.33088224"/>
                     <atom elementType="Mg"
                           id="a25"
                           x3="2.47922"
                           xFract="0.25884581"
                           y3="0.36749"
                           yFract="0.02324974"
                           z3="15.64916"
                           zFract="0.40110316"/>
                     <atom elementType="Mg"
                           id="a26"
                           x3="0.06109"
                           xFract="0.00637817"
                           y3="12.59188"
                           yFract="0.79664182"
                           z3="11.53799"
                           zFract="0.29572988"/>
                     <atom elementType="Mg"
                           id="a27"
                           x3="0.04863"
                           xFract="0.00507727"
                           y3="8.18523"
                           yFract="0.51784932"
                           z3="15.69703"
                           zFract="0.40233011"/>
                     <atom elementType="Mg"
                           id="a28"
                           x3="2.45621"
                           xFract="0.25644343"
                           y3="13.78777"
                           yFract="0.87230138"
                           z3="17.59536"
                           zFract="0.45098615"/>
                     <atom elementType="Mg"
                           id="a29"
                           x3="2.20726"
                           xFract="0.23045151"
                           y3="2.6479"
                           yFract="0.16752287"
                           z3="13.19672"
                           zFract="0.33824474"/>
                     <atom elementType="Mg"
                           id="a30"
                           x3="2.45536"
                           xFract="0.25635468"
                           y3="9.14122"
                           yFract="0.57833129"
                           z3="21.4727"
                           zFract="0.55036614"/>
                     <atom elementType="Mg"
                           id="a31"
                           x3="0.07676"
                           xFract="0.00801422"
                           y3="10.29479"
                           yFract="0.65131341"
                           z3="13.38359"
                           zFract="0.3430344"/>
                     <atom elementType="Mg"
                           id="a32"
                           x3="7.15538"
                           xFract="0.74706567"
                           y3="7.64009"
                           yFract="0.48336033"
                           z3="26.31296"
                           zFract="0.6744267"/>
                     <atom elementType="Mg"
                           id="a33"
                           x3="4.86578"
                           xFract="0.50801735"
                           y3="10.29473"
                           yFract="0.65130961"
                           z3="13.38352"
                           zFract="0.34303261"/>
                     <atom elementType="Mg"
                           id="a34"
                           x3="4.79222"
                           xFract="0.50033723"
                           y3="10.41659"
                           yFract="0.65901925"
                           z3="27.5735"
                           zFract="0.70673556"/>
                     <atom elementType="Mg"
                           id="a35"
                           x3="7.27142"
                           xFract="0.75918095"
                           y3="6.16199"
                           yFract="0.38984639"
                           z3="20.28228"
                           zFract="0.51985452"/>
                     <atom elementType="Mg"
                           id="a36"
                           x3="7.34574"
                           xFract="0.76694042"
                           y3="1.78059"
                           yFract="0.11265136"
                           z3="24.29865"
                           zFract="0.62279798"/>
                     <atom elementType="Mg"
                           id="a37"
                           x3="4.93535"
                           xFract="0.51528088"
                           y3="4.19714"
                           yFract="0.26553757"
                           z3="22.84097"
                           zFract="0.58543623"/>
                     <atom elementType="Mg"
                           id="a38"
                           x3="4.87876"
                           xFract="0.50937254"
                           y3="8.78784"
                           yFract="0.55597424"
                           z3="18.79435"
                           zFract="0.48171743"/>
                     <atom elementType="Mg"
                           id="a39"
                           x3="7.21766"
                           xFract="0.75356808"
                           y3="0.96779"
                           yFract="0.06122851"
                           z3="18.79152"
                           zFract="0.48164489"/>
                     <atom elementType="Mg"
                           id="a40"
                           x3="7.23295"
                           xFract="0.75516445"
                           y3="12.16179"
                           yFract="0.76943162"
                           z3="22.71524"
                           zFract="0.58221364"/>
                     <atom elementType="Mg"
                           id="a41"
                           x3="0.00597"
                           xFract="0.0006233"
                           y3="9.55281"
                           yFract="0.60437107"
                           z3="24.03791"
                           zFract="0.61611496"/>
                     <atom elementType="Mg"
                           id="a42"
                           x3="0.02999"
                           xFract="0.00313114"
                           y3="14.14485"
                           yFract="0.89489251"
                           z3="20.27614"
                           zFract="0.51969714"/>
                     <atom elementType="Mg"
                           id="a43"
                           x3="7.22013"
                           xFract="0.75382596"
                           y3="6.76254"
                           yFract="0.42784097"
                           z3="23.41865"
                           zFract="0.60024273"/>
                     <atom elementType="Mg"
                           id="a44"
                           x3="7.24048"
                           xFract="0.75595063"
                           y3="11.46744"
                           yFract="0.72550265"
                           z3="19.53527"
                           zFract="0.50070793"/>
                     <atom elementType="Mg"
                           id="a45"
                           x3="4.85034"
                           xFract="0.50640532"
                           y3="3.56457"
                           yFract="0.2255172"
                           z3="19.53497"
                           zFract="0.50070024"/>
                     <atom elementType="Mg"
                           id="a46"
                           x3="4.86058"
                           xFract="0.50747444"
                           y3="14.75697"
                           yFract="0.93361909"
                           z3="23.35835"
                           zFract="0.59869718"/>
                     <atom elementType="Mg"
                           id="a47"
                           x3="4.83055"
                           xFract="0.50433912"
                           y3="5.82351"
                           yFract="0.36843201"
                           z3="17.54036"
                           zFract="0.44957645"/>
                     <atom elementType="Mg"
                           id="a48"
                           x3="7.48698"
                           xFract="0.78168674"
                           y3="4.49142"
                           yFract="0.28415558"
                           z3="25.8736"
                           zFract="0.66316548"/>
                     <atom elementType="Mg"
                           id="a49"
                           x3="4.87499"
                           xFract="0.50897893"
                           y3="1.30497"
                           yFract="0.08256064"
                           z3="21.52519"
                           zFract="0.55171151"/>
                     <atom elementType="Mg"
                           id="a50"
                           x3="4.87391"
                           xFract="0.50886617"
                           y3="12.58761"
                           yFract="0.79637168"
                           z3="25.55794"
                           zFract="0.6550748"/>
                     <atom elementType="Mg"
                           id="a51"
                           x3="7.31013"
                           xFract="0.76322252"
                           y3="15.31674"
                           yFract="0.96903367"
                           z3="12.74387"
                           zFract="0.32663775"/>
                     <atom elementType="Mg"
                           id="a52"
                           x3="7.24146"
                           xFract="0.75605295"
                           y3="10.74853"
                           yFract="0.68001987"
                           z3="16.37112"
                           zFract="0.41960769"/>
                     <atom elementType="Mg"
                           id="a53"
                           x3="4.9001"
                           xFract="0.51160057"
                           y3="13.37549"
                           yFract="0.84621794"
                           z3="15.0196"
                           zFract="0.38496692"/>
                     <atom elementType="Mg"
                           id="a54"
                           x3="7.15147"
                           xFract="0.74665744"
                           y3="5.35395"
                           yFract="0.33872468"
                           z3="14.77027"
                           zFract="0.37857635"/>
                     <atom elementType="Mg"
                           id="a55"
                           x3="9.55908"
                           xFract="0.99802672"
                           y3="2.92629"
                           yFract="0.18513558"
                           z3="16.22422"
                           zFract="0.4158425"/>
                     <atom elementType="Mg"
                           id="a56"
                           x3="4.84295"
                           xFract="0.50563376"
                           y3="7.21378"
                           yFract="0.45638926"
                           z3="12.91014"
                           zFract="0.33089942"/>
                     <atom elementType="Mg"
                           id="a57"
                           x3="7.26755"
                           xFract="0.7587769"
                           y3="0.36747"
                           yFract="0.02324847"
                           z3="15.64894"
                           zFract="0.40109752"/>
                     <atom elementType="Mg"
                           id="a58"
                           x3="4.85127"
                           xFract="0.50650241"
                           y3="12.59303"
                           yFract="0.79671458"
                           z3="11.53887"
                           zFract="0.29575244"/>
                     <atom elementType="Mg"
                           id="a59"
                           x3="4.83787"
                           xFract="0.50510337"
                           y3="8.18629"
                           yFract="0.51791639"
                           z3="15.69809"
                           zFract="0.40235728"/>
                     <atom elementType="Mg"
                           id="a60"
                           x3="7.24536"
                           xFract="0.75646013"
                           y3="13.7883"
                           yFract="0.87233491"
                           z3="17.59595"
                           zFract="0.45100127"/>
                     <atom elementType="Mg"
                           id="a61"
                           x3="6.99617"
                           xFract="0.73044316"
                           y3="2.64802"
                           yFract="0.16753046"
                           z3="13.19687"
                           zFract="0.33824858"/>
                     <atom elementType="Mg"
                           id="a62"
                           x3="7.23889"
                           xFract="0.75578462"
                           y3="9.14768"
                           yFract="0.57873999"
                           z3="21.47754"
                           zFract="0.55049019"/>
                     <atom elementType="Mg"
                           id="a63"
                           x3="0.04128"
                           xFract="0.00430989"
                           y3="5.8234"
                           yFract="0.36842505"
                           z3="17.54185"
                           zFract="0.44961464"/>
                     <atom elementType="Mg"
                           id="a64"
                           x3="4.88966"
                           xFract="0.51051057"
                           y3="15.70891"
                           yFract="0.99384482"
                           z3="26.13588"
                           zFract="0.66988797"/>
                     <atom elementType="O"
                           id="a65"
                           x3="5.90597"
                           xFract="0.61661958"
                           y3="5.93528"
                           yFract="0.37550328"
                           z3="22.05803"
                           zFract="0.56536871"/>
                     <atom elementType="O"
                           id="a66"
                           x3="5.9107"
                           xFract="0.61711342"
                           y3="12.96211"
                           yFract="0.82006491"
                           z3="18.95694"
                           zFract="0.48588477"/>
                     <atom elementType="O"
                           id="a67"
                           x3="5.91083"
                           xFract="0.61712699"
                           y3="8.4037"
                           yFract="0.53167112"
                           z3="22.8783"
                           zFract="0.58639303"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3244"
                           xFract="0.86911854"
                           y3="13.19875"
                           yFract="0.83503625"
                           z3="24.11388"
                           zFract="0.61806214"/>
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                           id="a69"
                           x3="8.33047"
                           xFract="0.86975229"
                           y3="2.05668"
                           yFract="0.13011856"
                           z3="20.11298"
                           zFract="0.5155152"/>
                     <atom elementType="O"
                           id="a70"
                           x3="8.57138"
                           xFract="0.89490477"
                           y3="9.97356"
                           yFract="0.63099037"
                           z3="20.10362"
                           zFract="0.51527529"/>
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                           xFract="0.89713071"
                           y3="5.4621"
                           yFract="0.34556693"
                           z3="24.14389"
                           zFract="0.61883133"/>
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                           x3="5.91352"
                           xFract="0.61740785"
                           y3="7.93741"
                           yFract="0.50217067"
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                           zFract="0.52173301"/>
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                           id="a73"
                           x3="6.19146"
                           xFract="0.64642649"
                           y3="0.47846"
                           yFract="0.0302704"
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                           zFract="0.58621438"/>
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                           xFract="0.88956231"
                           y3="2.81677"
                           yFract="0.17820665"
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                           id="a75"
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                           xFract="0.87267566"
                           y3="7.42589"
                           yFract="0.46980868"
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                     <atom elementType="O"
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                           x3="6.00807"
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                     <bond atomRefs2="a174 a221" order="S"/>
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                     <bond atomRefs2="a176 a208" order="S"/>
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                     <bond atomRefs2="a183 a207" order="S"/>
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                     <bond atomRefs2="a185 a208" order="S"/>
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                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
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               <molecule id="calculation.position.19">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           xFract="0.00622365"
                           y3="15.72747"
                           yFract="0.99501904"
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                           zFract="0.67018554"/>
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                           y3="10.31761"
                           yFract="0.65275715"
                           z3="27.46831"
                           zFract="0.70403944"/>
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                           xFract="0.25974475"
                           y3="6.15769"
                           yFract="0.38957434"
                           z3="20.28161"
                           zFract="0.51983735"/>
                     <atom elementType="Mg"
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                           xFract="0.26627222"
                           y3="1.77462"
                           yFract="0.11227366"
                           z3="24.30697"
                           zFract="0.62301123"/>
                     <atom elementType="Mg"
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                           xFract="0.01506476"
                           y3="4.20505"
                           yFract="0.26603801"
                           z3="22.85445"
                           zFract="0.58578173"/>
                     <atom elementType="Mg"
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                           xFract="0.00922637"
                           y3="8.78768"
                           yFract="0.55596412"
                           z3="18.79142"
                           zFract="0.48164233"/>
                     <atom elementType="Mg"
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                           xFract="0.25341982"
                           y3="0.96746"
                           yFract="0.06120763"
                           z3="18.79118"
                           zFract="0.48163618"/>
                     <atom elementType="Mg"
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                           xFract="0.25365369"
                           y3="12.16137"
                           yFract="0.76940504"
                           z3="22.7029"
                           zFract="0.58189736"/>
                     <atom elementType="Mg"
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                           x3="4.78364"
                           xFract="0.49944143"
                           y3="9.56805"
                           yFract="0.60533525"
                           z3="24.08537"
                           zFract="0.61733141"/>
                     <atom elementType="Mg"
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                           x3="4.81923"
                           xFract="0.50315724"
                           y3="14.14197"
                           yFract="0.8947103"
                           z3="20.27725"
                           zFract="0.51972559"/>
                     <atom elementType="Mg"
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                           x3="2.43488"
                           xFract="0.25421644"
                           y3="6.75236"
                           yFract="0.42719692"
                           z3="23.41792"
                           zFract="0.60022401"/>
                     <atom elementType="Mg"
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                           x3="2.45529"
                           xFract="0.25634737"
                           y3="11.46571"
                           yFract="0.7253932"
                           z3="19.53341"
                           zFract="0.50066025"/>
                     <atom elementType="Mg"
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                           x3="0.06372"
                           xFract="0.00665276"
                           y3="3.5647"
                           yFract="0.22552543"
                           z3="19.5371"
                           zFract="0.50075483"/>
                     <atom elementType="Mg"
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                           x3="0.07054"
                           xFract="0.00736481"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.36466"
                           zFract="0.59885891"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.40651"
                           xFract="0.25125444"
                           y3="7.59642"
                           yFract="0.48059749"
                           z3="26.30287"
                           zFract="0.67416808"/>
                     <atom elementType="Mg"
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                           x3="2.70719"
                           xFract="0.28264728"
                           y3="4.46512"
                           yFract="0.28249168"
                           z3="25.87732"
                           zFract="0.66326082"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.08338"
                           xFract="0.00870538"
                           y3="1.30532"
                           yFract="0.08258278"
                           z3="21.53418"
                           zFract="0.55194193"/>
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                           x3="0.04303"
                           xFract="0.0044926"
                           y3="12.6244"
                           yFract="0.79869924"
                           z3="25.66019"
                           zFract="0.65769557"/>
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                           x3="2.52079"
                           xFract="0.26318597"
                           y3="15.31684"
                           yFract="0.96904"
                           z3="12.74443"
                           zFract="0.32665211"/>
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                           id="a20"
                           x3="2.45225"
                           xFract="0.25602998"
                           y3="10.74896"
                           yFract="0.68004707"
                           z3="16.3705"
                           zFract="0.4195918"/>
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                           xFract="0.0116298"
                           y3="13.37561"
                           yFract="0.84622553"
                           z3="15.01967"
                           zFract="0.38496872"/>
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                           xFract="0.24664073"
                           y3="5.35417"
                           yFract="0.3387386"
                           z3="14.76992"
                           zFract="0.37856738"/>
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                           x3="4.77044"
                           xFract="0.49806327"
                           y3="2.92569"
                           yFract="0.18509762"
                           z3="16.22401"
                           zFract="0.41583712"/>
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                           xFract="0.00567134"
                           y3="7.21398"
                           yFract="0.45640192"
                           z3="12.90947"
                           zFract="0.33088224"/>
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                           xFract="0.25884581"
                           y3="0.36749"
                           yFract="0.02324974"
                           z3="15.64916"
                           zFract="0.40110316"/>
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                           xFract="0.00637817"
                           y3="12.59188"
                           yFract="0.79664182"
                           z3="11.53799"
                           zFract="0.29572988"/>
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                           xFract="0.00507727"
                           y3="8.18523"
                           yFract="0.51784932"
                           z3="15.69703"
                           zFract="0.40233011"/>
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                           xFract="0.25644343"
                           y3="13.78777"
                           yFract="0.87230138"
                           z3="17.59536"
                           zFract="0.45098615"/>
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                           xFract="0.23045151"
                           y3="2.6479"
                           yFract="0.16752287"
                           z3="13.19672"
                           zFract="0.33824474"/>
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                           xFract="0.25635468"
                           y3="9.14122"
                           yFract="0.57833129"
                           z3="21.4727"
                           zFract="0.55036614"/>
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                           xFract="0.00801422"
                           y3="10.29479"
                           yFract="0.65131341"
                           z3="13.38359"
                           zFract="0.3430344"/>
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                           xFract="0.74706567"
                           y3="7.64009"
                           yFract="0.48336033"
                           z3="26.31296"
                           zFract="0.6744267"/>
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                           xFract="0.50801735"
                           y3="10.29473"
                           yFract="0.65130961"
                           z3="13.38352"
                           zFract="0.34303261"/>
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                           xFract="0.50033723"
                           y3="10.41659"
                           yFract="0.65901925"
                           z3="27.5735"
                           zFract="0.70673556"/>
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                           xFract="0.75918095"
                           y3="6.16199"
                           yFract="0.38984639"
                           z3="20.28228"
                           zFract="0.51985452"/>
                     <atom elementType="Mg"
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                           xFract="0.76694042"
                           y3="1.78059"
                           yFract="0.11265136"
                           z3="24.29865"
                           zFract="0.62279798"/>
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                           x3="4.93535"
                           xFract="0.51528088"
                           y3="4.19714"
                           yFract="0.26553757"
                           z3="22.84097"
                           zFract="0.58543623"/>
                     <atom elementType="Mg"
                           id="a38"
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                           xFract="0.50937254"
                           y3="8.78784"
                           yFract="0.55597424"
                           z3="18.79435"
                           zFract="0.48171743"/>
                     <atom elementType="Mg"
                           id="a39"
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                           xFract="0.75356808"
                           y3="0.96779"
                           yFract="0.06122851"
                           z3="18.79152"
                           zFract="0.48164489"/>
                     <atom elementType="Mg"
                           id="a40"
                           x3="7.23295"
                           xFract="0.75516445"
                           y3="12.16179"
                           yFract="0.76943162"
                           z3="22.71524"
                           zFract="0.58221364"/>
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                           id="a41"
                           x3="0.00597"
                           xFract="0.0006233"
                           y3="9.55281"
                           yFract="0.60437107"
                           z3="24.03791"
                           zFract="0.61611496"/>
                     <atom elementType="Mg"
                           id="a42"
                           x3="0.02999"
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                     <bond atomRefs2="a117 a210" order="S"/>
                     <bond atomRefs2="a118 a201" order="S"/>
                     <bond atomRefs2="a119 a205" order="S"/>
                     <bond atomRefs2="a120 a215" order="S"/>
                     <bond atomRefs2="a121 a223" order="S"/>
                     <bond atomRefs2="a122 a202" order="S"/>
                     <bond atomRefs2="a123 a199" order="S"/>
                     <bond atomRefs2="a124 a200" order="S"/>
                     <bond atomRefs2="a125 a203" order="S"/>
                     <bond atomRefs2="a126 a193" order="S"/>
                     <bond atomRefs2="a127 a204" order="S"/>
                     <bond atomRefs2="a129 a201" order="S"/>
                     <bond atomRefs2="a130 a206" order="S"/>
                     <bond atomRefs2="a131 a221" order="S"/>
                     <bond atomRefs2="a132 a222" order="S"/>
                     <bond atomRefs2="a133 a204" order="S"/>
                     <bond atomRefs2="a135 a193" order="S"/>
                     <bond atomRefs2="a136 a206" order="S"/>
                     <bond atomRefs2="a137 a220" order="S"/>
                     <bond atomRefs2="a138 a198" order="S"/>
                     <bond atomRefs2="a139 a197" order="S"/>
                     <bond atomRefs2="a140 a206" order="S"/>
                     <bond atomRefs2="a141 a199" order="S"/>
                     <bond atomRefs2="a142 a202" order="S"/>
                     <bond atomRefs2="a143 a200" order="S"/>
                     <bond atomRefs2="a144 a224" order="S"/>
                     <bond atomRefs2="a145 a207" order="S"/>
                     <bond atomRefs2="a146 a200" order="S"/>
                     <bond atomRefs2="a147 a199" order="S"/>
                     <bond atomRefs2="a148 a208" order="S"/>
                     <bond atomRefs2="a149 a195" order="S"/>
                     <bond atomRefs2="a150 a198" order="S"/>
                     <bond atomRefs2="a152 a203" order="S"/>
                     <bond atomRefs2="a153 a215" order="S"/>
                     <bond atomRefs2="a154 a214" order="S"/>
                     <bond atomRefs2="a155 a200" order="S"/>
                     <bond atomRefs2="a156 a199" order="S"/>
                     <bond atomRefs2="a159 a196" order="S"/>
                     <bond atomRefs2="a160 a195" order="S"/>
                     <bond atomRefs2="a161 a197" order="S"/>
                     <bond atomRefs2="a162 a197" order="S"/>
                     <bond atomRefs2="a163 a196" order="S"/>
                     <bond atomRefs2="a164 a207" order="S"/>
                     <bond atomRefs2="a165 a198" order="S"/>
                     <bond atomRefs2="a168 a217" order="S"/>
                     <bond atomRefs2="a169 a218" order="S"/>
                     <bond atomRefs2="a170 a219" order="S"/>
                     <bond atomRefs2="a171 a208" order="S"/>
                     <bond atomRefs2="a172 a220" order="S"/>
                     <bond atomRefs2="a173 a221" order="S"/>
                     <bond atomRefs2="a174 a221" order="S"/>
                     <bond atomRefs2="a175 a222" order="S"/>
                     <bond atomRefs2="a176 a208" order="S"/>
                     <bond atomRefs2="a178 a219" order="S"/>
                     <bond atomRefs2="a179 a205" order="S"/>
                     <bond atomRefs2="a180 a202" order="S"/>
                     <bond atomRefs2="a181 a195" order="S"/>
                     <bond atomRefs2="a182 a196" order="S"/>
                     <bond atomRefs2="a183 a207" order="S"/>
                     <bond atomRefs2="a184 a220" order="S"/>
                     <bond atomRefs2="a185 a208" order="S"/>
                     <bond atomRefs2="a186 a222" order="S"/>
                     <bond atomRefs2="a188 a217" order="S"/>
                     <bond atomRefs2="a189 a216" order="S"/>
                     <bond atomRefs2="a190 a219" order="S"/>
                     <bond atomRefs2="a191 a217" order="S"/>
                     <bond atomRefs2="a192 a216" order="S"/>
                     <bond atomRefs2="a225 a226" order="S"/>
                     <bond atomRefs2="a226 a230" order="S"/>
                     <bond atomRefs2="a226 a227" order="S"/>
                     <bond atomRefs2="a226 a228" order="S"/>
                     <bond atomRefs2="a229 a230" order="S"/>
                  </bondArray>
                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.20">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Mg"
                           id="a1"
                           x3="0.05964"
                           xFract="0.00622678"
                           y3="15.7275"
                           yFract="0.99502094"
                           z3="26.14746"
                           zFract="0.67018477"/>
                     <atom elementType="Mg"
                           id="a2"
                           x3="0.11198"
                           xFract="0.0116914"
                           y3="10.3176"
                           yFract="0.65275651"
                           z3="27.46825"
                           zFract="0.7040379"/>
                     <atom elementType="Mg"
                           id="a3"
                           x3="2.48785"
                           xFract="0.25974684"
                           y3="6.15768"
                           yFract="0.38957371"
                           z3="20.28155"
                           zFract="0.51983581"/>
                     <atom elementType="Mg"
                           id="a4"
                           x3="2.55035"
                           xFract="0.26627222"
                           y3="1.77464"
                           yFract="0.11227493"
                           z3="24.30691"
                           zFract="0.62300969"/>
                     <atom elementType="Mg"
                           id="a5"
                           x3="0.14427"
                           xFract="0.01506268"
                           y3="4.20504"
                           yFract="0.26603738"
                           z3="22.85443"
                           zFract="0.58578122"/>
                     <atom elementType="Mg"
                           id="a6"
                           x3="0.08836"
                           xFract="0.00922533"
                           y3="8.78769"
                           yFract="0.55596475"
                           z3="18.79137"
                           zFract="0.48164105"/>
                     <atom elementType="Mg"
                           id="a7"
                           x3="2.42724"
                           xFract="0.25341878"
                           y3="0.96746"
                           yFract="0.06120763"
                           z3="18.79115"
                           zFract="0.48163541"/>
                     <atom elementType="Mg"
                           id="a8"
                           x3="2.42944"
                           xFract="0.25364847"
                           y3="12.16136"
                           yFract="0.76940441"
                           z3="22.70286"
                           zFract="0.58189633"/>
                     <atom elementType="Mg"
                           id="a9"
                           x3="4.78361"
                           xFract="0.49943829"
                           y3="9.56804"
                           yFract="0.60533462"
                           z3="24.08528"
                           zFract="0.6173291"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="4.81922"
                           xFract="0.5031562"
                           y3="14.14196"
                           yFract="0.89470967"
                           z3="20.27719"
                           zFract="0.51972406"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.43487"
                           xFract="0.2542154"
                           y3="6.75237"
                           yFract="0.42719756"
                           z3="23.41789"
                           zFract="0.60022325"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.45529"
                           xFract="0.25634737"
                           y3="11.46568"
                           yFract="0.7253913"
                           z3="19.53337"
                           zFract="0.50065923"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.06373"
                           xFract="0.0066538"
                           y3="3.56471"
                           yFract="0.22552606"
                           z3="19.53705"
                           zFract="0.50075355"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.07056"
                           xFract="0.0073669"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.3646"
                           zFract="0.59885737"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.40654"
                           xFract="0.25125757"
                           y3="7.59642"
                           yFract="0.48059749"
                           z3="26.30287"
                           zFract="0.67416808"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.70717"
                           xFract="0.28264519"
                           y3="4.46511"
                           yFract="0.28249105"
                           z3="25.87734"
                           zFract="0.66326134"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.08338"
                           xFract="0.00870538"
                           y3="1.30532"
                           yFract="0.08258278"
                           z3="21.53416"
                           zFract="0.55194142"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.04306"
                           xFract="0.00449573"
                           y3="12.62441"
                           yFract="0.79869988"
                           z3="25.66018"
                           zFract="0.65769531"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.52077"
                           xFract="0.26318389"
                           y3="15.31679"
                           yFract="0.96903683"
                           z3="12.74438"
                           zFract="0.32665083"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.45226"
                           xFract="0.25603102"
                           y3="10.74891"
                           yFract="0.68004391"
                           z3="16.37046"
                           zFract="0.41959078"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="0.11137"
                           xFract="0.01162771"
                           y3="13.3756"
                           yFract="0.8462249"
                           z3="15.01965"
                           zFract="0.3849682"/>
                     <atom elementType="Mg"
                           id="a22"
                           x3="2.36232"
                           xFract="0.24664073"
                           y3="5.35419"
                           yFract="0.33873986"
                           z3="14.76992"
                           zFract="0.37856738"/>
                     <atom elementType="Mg"
                           id="a23"
                           x3="4.77044"
                           xFract="0.49806327"
                           y3="2.92567"
                           yFract="0.18509635"
                           z3="16.2240"
                           zFract="0.41583686"/>
                     <atom elementType="Mg"
                           id="a24"
                           x3="0.05433"
                           xFract="0.00567239"
                           y3="7.21399"
                           yFract="0.45640255"
                           z3="12.90946"
                           zFract="0.33088199"/>
                     <atom elementType="Mg"
                           id="a25"
                           x3="2.47922"
                           xFract="0.25884581"
                           y3="0.36749"
                           yFract="0.02324974"
                           z3="15.64914"
                           zFract="0.40110264"/>
                     <atom elementType="Mg"
                           id="a26"
                           x3="0.06109"
                           xFract="0.00637817"
                           y3="12.59189"
                           yFract="0.79664246"
                           z3="11.53799"
                           zFract="0.29572988"/>
                     <atom elementType="Mg"
                           id="a27"
                           x3="0.04862"
                           xFract="0.00507623"
                           y3="8.18523"
                           yFract="0.51784932"
                           z3="15.69699"
                           zFract="0.40232909"/>
                     <atom elementType="Mg"
                           id="a28"
                           x3="2.45622"
                           xFract="0.25644447"
                           y3="13.78777"
                           yFract="0.87230138"
                           z3="17.59533"
                           zFract="0.45098538"/>
                     <atom elementType="Mg"
                           id="a29"
                           x3="2.20725"
                           xFract="0.23045047"
                           y3="2.64787"
                           yFract="0.16752097"
                           z3="13.19672"
                           zFract="0.33824474"/>
                     <atom elementType="Mg"
                           id="a30"
                           x3="2.45535"
                           xFract="0.25635364"
                           y3="9.14122"
                           yFract="0.57833129"
                           z3="21.4727"
                           zFract="0.55036614"/>
                     <atom elementType="Mg"
                           id="a31"
                           x3="0.07674"
                           xFract="0.00801213"
                           y3="10.29479"
                           yFract="0.65131341"
                           z3="13.38359"
                           zFract="0.3430344"/>
                     <atom elementType="Mg"
                           id="a32"
                           x3="7.15538"
                           xFract="0.74706567"
                           y3="7.64006"
                           yFract="0.48335843"
                           z3="26.31295"
                           zFract="0.67442644"/>
                     <atom elementType="Mg"
                           id="a33"
                           x3="4.86576"
                           xFract="0.50801526"
                           y3="10.29474"
                           yFract="0.65131025"
                           z3="13.38352"
                           zFract="0.34303261"/>
                     <atom elementType="Mg"
                           id="a34"
                           x3="4.79229"
                           xFract="0.50034454"
                           y3="10.41651"
                           yFract="0.65901418"
                           z3="27.57336"
                           zFract="0.70673197"/>
                     <atom elementType="Mg"
                           id="a35"
                           x3="7.2714"
                           xFract="0.75917887"
                           y3="6.16199"
                           yFract="0.38984639"
                           z3="20.28223"
                           zFract="0.51985324"/>
                     <atom elementType="Mg"
                           id="a36"
                           x3="7.34576"
                           xFract="0.76694251"
                           y3="1.78059"
                           yFract="0.11265136"
                           z3="24.29861"
                           zFract="0.62279695"/>
                     <atom elementType="Mg"
                           id="a37"
                           x3="4.93536"
                           xFract="0.51528193"
                           y3="4.19714"
                           yFract="0.26553757"
                           z3="22.84094"
                           zFract="0.58543546"/>
                     <atom elementType="Mg"
                           id="a38"
                           x3="4.87878"
                           xFract="0.50937463"
                           y3="8.78783"
                           yFract="0.55597361"
                           z3="18.79432"
                           zFract="0.48171666"/>
                     <atom elementType="Mg"
                           id="a39"
                           x3="7.21766"
                           xFract="0.75356808"
                           y3="0.9678"
                           yFract="0.06122914"
                           z3="18.79148"
                           zFract="0.48164387"/>
                     <atom elementType="Mg"
                           id="a40"
                           x3="7.23294"
                           xFract="0.75516341"
                           y3="12.16178"
                           yFract="0.76943098"
                           z3="22.71522"
                           zFract="0.58221313"/>
                     <atom elementType="Mg"
                           id="a41"
                           x3="0.00593"
                           xFract="0.00061913"
                           y3="9.55283"
                           yFract="0.60437233"
                           z3="24.03783"
                           zFract="0.61611291"/>
                     <atom elementType="Mg"
                           id="a42"
                           x3="0.02997"
                           xFract="0.00312905"
                           y3="14.14484"
                           yFract="0.89489188"
                           z3="20.2761"
                           zFract="0.51969612"/>
                     <atom elementType="Mg"
                           id="a43"
                           x3="7.22012"
                           xFract="0.75382492"
                           y3="6.76254"
                           yFract="0.42784097"
                           z3="23.41858"
                           zFract="0.60024093"/>
                     <atom elementType="Mg"
                           id="a44"
                           x3="7.24046"
                           xFract="0.75594854"
                           y3="11.46744"
                           yFract="0.72550265"
                           z3="19.53523"
                           zFract="0.5007069"/>
                     <atom elementType="Mg"
                           id="a45"
                           x3="4.85035"
                           xFract="0.50640636"
                           y3="3.56458"
                           yFract="0.22551783"
                           z3="19.53491"
                           zFract="0.5006987"/>
                     <atom elementType="Mg"
                           id="a46"
                           x3="4.86059"
                           xFract="0.50747548"
                           y3="14.75696"
                           yFract="0.93361845"
                           z3="23.35826"
                           zFract="0.59869487"/>
                     <atom elementType="Mg"
                           id="a47"
                           x3="4.83054"
                           xFract="0.50433808"
                           y3="5.82353"
                           yFract="0.36843327"
                           z3="17.54034"
                           zFract="0.44957594"/>
                     <atom elementType="Mg"
                           id="a48"
                           x3="7.48697"
                           xFract="0.7816857"
                           y3="4.49139"
                           yFract="0.28415369"
                           z3="25.8736"
                           zFract="0.66316548"/>
                     <atom elementType="Mg"
                           id="a49"
                           x3="4.87499"
                           xFract="0.50897893"
                           y3="1.30495"
                           yFract="0.08255938"
                           z3="21.52518"
                           zFract="0.55171125"/>
                     <atom elementType="Mg"
                           id="a50"
                           x3="4.87388"
                           xFract="0.50886304"
                           y3="12.5876"
                           yFract="0.79637104"
                           z3="25.55793"
                           zFract="0.65507455"/>
                     <atom elementType="Mg"
                           id="a51"
                           x3="7.31013"
                           xFract="0.76322252"
                           y3="15.31672"
                           yFract="0.96903241"
                           z3="12.74382"
                           zFract="0.32663647"/>
                     <atom elementType="Mg"
                           id="a52"
                           x3="7.24145"
                           xFract="0.7560519"
                           y3="10.74851"
                           yFract="0.6800186"
                           z3="16.37108"
                           zFract="0.41960667"/>
                     <atom elementType="Mg"
                           id="a53"
                           x3="4.90008"
                           xFract="0.51159848"
                           y3="13.3755"
                           yFract="0.84621857"
                           z3="15.01953"
                           zFract="0.38496513"/>
                     <atom elementType="Mg"
                           id="a54"
                           x3="7.15145"
                           xFract="0.74665535"
                           y3="5.35397"
                           yFract="0.33872594"
                           z3="14.77026"
                           zFract="0.3785761"/>
                     <atom elementType="Mg"
                           id="a55"
                           x3="9.55908"
                           xFract="0.99802672"
                           y3="2.92628"
                           yFract="0.18513495"
                           z3="16.22422"
                           zFract="0.4158425"/>
                     <atom elementType="Mg"
                           id="a56"
                           x3="4.84297"
                           xFract="0.50563584"
                           y3="7.21382"
                           yFract="0.4563918"
                           z3="12.91012"
                           zFract="0.3308989"/>
                     <atom elementType="Mg"
                           id="a57"
                           x3="7.26755"
                           xFract="0.7587769"
                           y3="0.36747"
                           yFract="0.02324847"
                           z3="15.6489"
                           zFract="0.40109649"/>
                     <atom elementType="Mg"
                           id="a58"
                           x3="4.85128"
                           xFract="0.50650346"
                           y3="12.59305"
                           yFract="0.79671585"
                           z3="11.53886"
                           zFract="0.29575218"/>
                     <atom elementType="Mg"
                           id="a59"
                           x3="4.83789"
                           xFract="0.50510546"
                           y3="8.18629"
                           yFract="0.51791639"
                           z3="15.69805"
                           zFract="0.40235626"/>
                     <atom elementType="Mg"
                           id="a60"
                           x3="7.24535"
                           xFract="0.75645909"
                           y3="13.7883"
                           yFract="0.87233491"
                           z3="17.59593"
                           zFract="0.45100076"/>
                     <atom elementType="Mg"
                           id="a61"
                           x3="6.99615"
                           xFract="0.73044107"
                           y3="2.64798"
                           yFract="0.16752793"
                           z3="13.19684"
                           zFract="0.33824782"/>
                     <atom elementType="Mg"
                           id="a62"
                           x3="7.23888"
                           xFract="0.75578358"
                           y3="9.1477"
                           yFract="0.57874125"
                           z3="21.47751"
                           zFract="0.55048942"/>
                     <atom elementType="Mg"
                           id="a63"
                           x3="0.04127"
                           xFract="0.00430884"
                           y3="5.82341"
                           yFract="0.36842568"
                           z3="17.54182"
                           zFract="0.44961387"/>
                     <atom elementType="Mg"
                           id="a64"
                           x3="4.88971"
                           xFract="0.51051579"
                           y3="15.7090"
                           yFract="0.99385051"
                           z3="26.13577"
                           zFract="0.66988515"/>
                     <atom elementType="O"
                           id="a65"
                           x3="5.90594"
                           xFract="0.61661645"
                           y3="5.93529"
                           yFract="0.37550392"
                           z3="22.05805"
                           zFract="0.56536923"/>
                     <atom elementType="O"
                           id="a66"
                           x3="5.91071"
                           xFract="0.61711446"
                           y3="12.96214"
                           yFract="0.82006681"
                           z3="18.95698"
                           zFract="0.48588579"/>
                     <atom elementType="O"
                           id="a67"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           z3="23.41793"
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                     <bond atomRefs2="a102 a194" order="S"/>
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                     <bond atomRefs2="a114 a224" order="S"/>
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                     <bond atomRefs2="a117 a210" order="S"/>
                     <bond atomRefs2="a118 a201" order="S"/>
                     <bond atomRefs2="a119 a205" order="S"/>
                     <bond atomRefs2="a120 a215" order="S"/>
                     <bond atomRefs2="a121 a223" order="S"/>
                     <bond atomRefs2="a122 a202" order="S"/>
                     <bond atomRefs2="a123 a199" order="S"/>
                     <bond atomRefs2="a124 a200" order="S"/>
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                     <bond atomRefs2="a126 a193" order="S"/>
                     <bond atomRefs2="a127 a204" order="S"/>
                     <bond atomRefs2="a129 a201" order="S"/>
                     <bond atomRefs2="a130 a206" order="S"/>
                     <bond atomRefs2="a131 a221" order="S"/>
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                     <bond atomRefs2="a137 a220" order="S"/>
                     <bond atomRefs2="a138 a198" order="S"/>
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                     <bond atomRefs2="a140 a206" order="S"/>
                     <bond atomRefs2="a141 a199" order="S"/>
                     <bond atomRefs2="a142 a202" order="S"/>
                     <bond atomRefs2="a143 a200" order="S"/>
                     <bond atomRefs2="a144 a224" order="S"/>
                     <bond atomRefs2="a145 a207" order="S"/>
                     <bond atomRefs2="a146 a200" order="S"/>
                     <bond atomRefs2="a147 a199" order="S"/>
                     <bond atomRefs2="a148 a208" order="S"/>
                     <bond atomRefs2="a149 a195" order="S"/>
                     <bond atomRefs2="a150 a198" order="S"/>
                     <bond atomRefs2="a152 a203" order="S"/>
                     <bond atomRefs2="a153 a215" order="S"/>
                     <bond atomRefs2="a154 a214" order="S"/>
                     <bond atomRefs2="a155 a200" order="S"/>
                     <bond atomRefs2="a156 a199" order="S"/>
                     <bond atomRefs2="a159 a196" order="S"/>
                     <bond atomRefs2="a160 a195" order="S"/>
                     <bond atomRefs2="a161 a197" order="S"/>
                     <bond atomRefs2="a162 a197" order="S"/>
                     <bond atomRefs2="a163 a196" order="S"/>
                     <bond atomRefs2="a164 a207" order="S"/>
                     <bond atomRefs2="a165 a198" order="S"/>
                     <bond atomRefs2="a168 a217" order="S"/>
                     <bond atomRefs2="a169 a218" order="S"/>
                     <bond atomRefs2="a170 a219" order="S"/>
                     <bond atomRefs2="a171 a208" order="S"/>
                     <bond atomRefs2="a172 a220" order="S"/>
                     <bond atomRefs2="a173 a221" order="S"/>
                     <bond atomRefs2="a174 a221" order="S"/>
                     <bond atomRefs2="a175 a222" order="S"/>
                     <bond atomRefs2="a176 a208" order="S"/>
                     <bond atomRefs2="a178 a219" order="S"/>
                     <bond atomRefs2="a179 a205" order="S"/>
                     <bond atomRefs2="a180 a202" order="S"/>
                     <bond atomRefs2="a181 a195" order="S"/>
                     <bond atomRefs2="a182 a196" order="S"/>
                     <bond atomRefs2="a183 a207" order="S"/>
                     <bond atomRefs2="a184 a220" order="S"/>
                     <bond atomRefs2="a185 a208" order="S"/>
                     <bond atomRefs2="a186 a222" order="S"/>
                     <bond atomRefs2="a188 a217" order="S"/>
                     <bond atomRefs2="a189 a216" order="S"/>
                     <bond atomRefs2="a190 a219" order="S"/>
                     <bond atomRefs2="a191 a217" order="S"/>
                     <bond atomRefs2="a192 a216" order="S"/>
                     <bond atomRefs2="a225 a226" order="S"/>
                     <bond atomRefs2="a226 a230" order="S"/>
                     <bond atomRefs2="a226 a227" order="S"/>
                     <bond atomRefs2="a226 a228" order="S"/>
                     <bond atomRefs2="a229 a230" order="S"/>
                  </bondArray>
                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.23">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
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                           id="a1"
                           x3="0.05959"
                           xFract="0.00622156"
                           y3="15.72743"
                           yFract="0.99501651"
                           z3="26.14753"
                           zFract="0.67018657"/>
                     <atom elementType="Mg"
                           id="a2"
                           x3="0.1118"
                           xFract="0.01167261"
                           y3="10.31762"
                           yFract="0.65275778"
                           z3="27.46838"
                           zFract="0.70404124"/>
                     <atom elementType="Mg"
                           id="a3"
                           x3="2.48785"
                           xFract="0.25974684"
                           y3="6.15769"
                           yFract="0.38957434"
                           z3="20.28158"
                           zFract="0.51983658"/>
                     <atom elementType="Mg"
                           id="a4"
                           x3="2.55041"
                           xFract="0.26627848"
                           y3="1.77458"
                           yFract="0.11227113"
                           z3="24.30691"
                           zFract="0.62300969"/>
                     <atom elementType="Mg"
                           id="a5"
                           x3="0.14428"
                           xFract="0.01506372"
                           y3="4.20508"
                           yFract="0.26603991"
                           z3="22.85442"
                           zFract="0.58578096"/>
                     <atom elementType="Mg"
                           id="a6"
                           x3="0.0884"
                           xFract="0.0092295"
                           y3="8.78767"
                           yFract="0.55596348"
                           z3="18.79141"
                           zFract="0.48164207"/>
                     <atom elementType="Mg"
                           id="a7"
                           x3="2.42726"
                           xFract="0.25342087"
                           y3="0.96748"
                           yFract="0.06120889"
                           z3="18.7912"
                           zFract="0.48163669"/>
                     <atom elementType="Mg"
                           id="a8"
                           x3="2.4295"
                           xFract="0.25365474"
                           y3="12.1614"
                           yFract="0.76940694"
                           z3="22.70288"
                           zFract="0.58189685"/>
                     <atom elementType="Mg"
                           id="a9"
                           x3="4.78363"
                           xFract="0.49944038"
                           y3="9.56808"
                           yFract="0.60533715"
                           z3="24.08537"
                           zFract="0.61733141"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="4.8192"
                           xFract="0.50315411"
                           y3="14.1420"
                           yFract="0.8947122"
                           z3="20.2773"
                           zFract="0.51972688"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.43488"
                           xFract="0.25421644"
                           y3="6.75242"
                           yFract="0.42720072"
                           z3="23.41792"
                           zFract="0.60022401"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.45528"
                           xFract="0.25634633"
                           y3="11.46569"
                           yFract="0.72539193"
                           z3="19.53341"
                           zFract="0.50066025"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.06371"
                           xFract="0.00665172"
                           y3="3.56468"
                           yFract="0.22552416"
                           z3="19.53711"
                           zFract="0.50075509"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.07055"
                           xFract="0.00736585"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.36465"
                           zFract="0.59885865"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.40653"
                           xFract="0.25125653"
                           y3="7.59649"
                           yFract="0.48060192"
                           z3="26.30293"
                           zFract="0.67416962"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.70721"
                           xFract="0.28264937"
                           y3="4.46517"
                           yFract="0.28249484"
                           z3="25.87731"
                           zFract="0.66326057"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.08341"
                           xFract="0.00870852"
                           y3="1.30529"
                           yFract="0.08258089"
                           z3="21.53417"
                           zFract="0.55194167"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.04301"
                           xFract="0.00449051"
                           y3="12.62439"
                           yFract="0.79869861"
                           z3="25.66019"
                           zFract="0.65769557"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.52084"
                           xFract="0.26319119"
                           y3="15.31679"
                           yFract="0.96903683"
                           z3="12.74438"
                           zFract="0.32665083"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.45224"
                           xFract="0.25602893"
                           y3="10.74886"
                           yFract="0.68004074"
                           z3="16.37049"
                           zFract="0.41959154"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="0.11137"
                           xFract="0.01162771"
                           y3="13.37564"
                           yFract="0.84622743"
                           z3="15.01967"
                           zFract="0.38496872"/>
                     <atom elementType="Mg"
                           id="a22"
                           x3="2.36229"
                           xFract="0.2466376"
                           y3="5.35416"
                           yFract="0.33873796"
                           z3="14.76996"
                           zFract="0.37856841"/>
                     <atom elementType="Mg"
                           id="a23"
                           x3="4.77043"
                           xFract="0.49806222"
                           y3="2.9257"
                           yFract="0.18509825"
                           z3="16.2240"
                           zFract="0.41583686"/>
                     <atom elementType="Mg"
                           id="a24"
                           x3="0.05431"
                           xFract="0.0056703"
                           y3="7.21393"
                           yFract="0.45639875"
                           z3="12.90941"
                           zFract="0.33088071"/>
                     <atom elementType="Mg"
                           id="a25"
                           x3="2.47922"
                           xFract="0.25884581"
                           y3="0.36748"
                           yFract="0.0232491"
                           z3="15.64919"
                           zFract="0.40110393"/>
                     <atom elementType="Mg"
                           id="a26"
                           x3="0.06113"
                           xFract="0.00638235"
                           y3="12.59189"
                           yFract="0.79664246"
                           z3="11.53788"
                           zFract="0.29572706"/>
                     <atom elementType="Mg"
                           id="a27"
                           x3="0.04863"
                           xFract="0.00507727"
                           y3="8.18522"
                           yFract="0.51784869"
                           z3="15.6971"
                           zFract="0.40233191"/>
                     <atom elementType="Mg"
                           id="a28"
                           x3="2.45627"
                           xFract="0.25644969"
                           y3="13.78776"
                           yFract="0.87230074"
                           z3="17.59537"
                           zFract="0.45098641"/>
                     <atom elementType="Mg"
                           id="a29"
                           x3="2.20726"
                           xFract="0.23045151"
                           y3="2.64789"
                           yFract="0.16752224"
                           z3="13.19675"
                           zFract="0.33824551"/>
                     <atom elementType="Mg"
                           id="a30"
                           x3="2.45534"
                           xFract="0.25635259"
                           y3="9.14123"
                           yFract="0.57833192"
                           z3="21.47268"
                           zFract="0.55036563"/>
                     <atom elementType="Mg"
                           id="a31"
                           x3="0.07676"
                           xFract="0.00801422"
                           y3="10.29472"
                           yFract="0.65130898"
                           z3="13.3836"
                           zFract="0.34303466"/>
                     <atom elementType="Mg"
                           id="a32"
                           x3="7.15536"
                           xFract="0.74706358"
                           y3="7.64012"
                           yFract="0.48336222"
                           z3="26.31296"
                           zFract="0.6744267"/>
                     <atom elementType="Mg"
                           id="a33"
                           x3="4.86578"
                           xFract="0.50801735"
                           y3="10.29471"
                           yFract="0.65130835"
                           z3="13.38352"
                           zFract="0.34303261"/>
                     <atom elementType="Mg"
                           id="a34"
                           x3="4.79223"
                           xFract="0.50033828"
                           y3="10.41652"
                           yFract="0.65901482"
                           z3="27.57361"
                           zFract="0.70673838"/>
                     <atom elementType="Mg"
                           id="a35"
                           x3="7.27138"
                           xFract="0.75917678"
                           y3="6.16198"
                           yFract="0.38984576"
                           z3="20.28227"
                           zFract="0.51985426"/>
                     <atom elementType="Mg"
                           id="a36"
                           x3="7.34572"
                           xFract="0.76693833"
                           y3="1.78058"
                           yFract="0.11265073"
                           z3="24.29859"
                           zFract="0.62279644"/>
                     <atom elementType="Mg"
                           id="a37"
                           x3="4.93535"
                           xFract="0.51528088"
                           y3="4.19714"
                           yFract="0.26553757"
                           z3="22.84097"
                           zFract="0.58543623"/>
                     <atom elementType="Mg"
                           id="a38"
                           x3="4.87876"
                           xFract="0.50937254"
                           y3="8.78783"
                           yFract="0.55597361"
                           z3="18.79434"
                           zFract="0.48171717"/>
                     <atom elementType="Mg"
                           id="a39"
                           x3="7.21766"
                           xFract="0.75356808"
                           y3="0.96779"
                           yFract="0.06122851"
                           z3="18.79151"
                           zFract="0.48164464"/>
                     <atom elementType="Mg"
                           id="a40"
                           x3="7.23291"
                           xFract="0.75516027"
                           y3="12.1618"
                           yFract="0.76943225"
                           z3="22.71523"
                           zFract="0.58221339"/>
                     <atom elementType="Mg"
                           id="a41"
                           x3="0.00598"
                           xFract="0.00062435"
                           y3="9.55282"
                           yFract="0.6043717"
                           z3="24.0379"
                           zFract="0.6161147"/>
                     <atom elementType="Mg"
                           id="a42"
                           x3="0.02997"
                           xFract="0.00312905"
                           y3="14.14485"
                           yFract="0.89489251"
                           z3="20.27618"
                           zFract="0.51969817"/>
                     <atom elementType="Mg"
                           id="a43"
                           x3="7.22012"
                           xFract="0.75382492"
                           y3="6.76256"
                           yFract="0.42784224"
                           z3="23.41861"
                           zFract="0.6002417"/>
                     <atom elementType="Mg"
                           id="a44"
                           x3="7.24048"
                           xFract="0.75595063"
                           y3="11.46746"
                           yFract="0.72550392"
                           z3="19.53526"
                           zFract="0.50070767"/>
                     <atom elementType="Mg"
                           id="a45"
                           x3="4.85034"
                           xFract="0.50640532"
                           y3="3.56455"
                           yFract="0.22551594"
                           z3="19.53496"
                           zFract="0.50069998"/>
                     <atom elementType="Mg"
                           id="a46"
                           x3="4.86056"
                           xFract="0.50747235"
                           y3="14.75697"
                           yFract="0.93361909"
                           z3="23.35837"
                           zFract="0.59869769"/>
                     <atom elementType="Mg"
                           id="a47"
                           x3="4.83054"
                           xFract="0.50433808"
                           y3="5.82352"
                           yFract="0.36843264"
                           z3="17.54037"
                           zFract="0.4495767"/>
                     <atom elementType="Mg"
                           id="a48"
                           x3="7.48696"
                           xFract="0.78168466"
                           y3="4.49142"
                           yFract="0.28415558"
                           z3="25.87359"
                           zFract="0.66316522"/>
                     <atom elementType="Mg"
                           id="a49"
                           x3="4.87495"
                           xFract="0.50897475"
                           y3="1.30496"
                           yFract="0.08256001"
                           z3="21.52518"
                           zFract="0.55171125"/>
                     <atom elementType="Mg"
                           id="a50"
                           x3="4.8739"
                           xFract="0.50886513"
                           y3="12.58763"
                           yFract="0.79637294"
                           z3="25.55797"
                           zFract="0.65507557"/>
                     <atom elementType="Mg"
                           id="a51"
                           x3="7.31015"
                           xFract="0.7632246"
                           y3="15.31673"
                           yFract="0.96903304"
                           z3="12.74389"
                           zFract="0.32663827"/>
                     <atom elementType="Mg"
                           id="a52"
                           x3="7.24148"
                           xFract="0.75605503"
                           y3="10.74851"
                           yFract="0.6800186"
                           z3="16.37114"
                           zFract="0.4196082"/>
                     <atom elementType="Mg"
                           id="a53"
                           x3="4.90011"
                           xFract="0.51160161"
                           y3="13.3755"
                           yFract="0.84621857"
                           z3="15.0196"
                           zFract="0.38496692"/>
                     <atom elementType="Mg"
                           id="a54"
                           x3="7.15143"
                           xFract="0.74665326"
                           y3="5.35397"
                           yFract="0.33872594"
                           z3="14.77028"
                           zFract="0.37857661"/>
                     <atom elementType="Mg"
                           id="a55"
                           x3="9.55906"
                           xFract="0.99802464"
                           y3="2.92628"
                           yFract="0.18513495"
                           z3="16.22422"
                           zFract="0.4158425"/>
                     <atom elementType="Mg"
                           id="a56"
                           x3="4.8430"
                           xFract="0.50563898"
                           y3="7.21376"
                           yFract="0.456388"
                           z3="12.91012"
                           zFract="0.3308989"/>
                     <atom elementType="Mg"
                           id="a57"
                           x3="7.26759"
                           xFract="0.75878108"
                           y3="0.36745"
                           yFract="0.02324721"
                           z3="15.64897"
                           zFract="0.40109829"/>
                     <atom elementType="Mg"
                           id="a58"
                           x3="4.85127"
                           xFract="0.50650241"
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                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a156 a199" order="S"/>
                     <bond atomRefs2="a159 a196" order="S"/>
                     <bond atomRefs2="a160 a195" order="S"/>
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                     <bond atomRefs2="a162 a197" order="S"/>
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                     <bond atomRefs2="a171 a208" order="S"/>
                     <bond atomRefs2="a172 a220" order="S"/>
                     <bond atomRefs2="a173 a221" order="S"/>
                     <bond atomRefs2="a174 a221" order="S"/>
                     <bond atomRefs2="a175 a222" order="S"/>
                     <bond atomRefs2="a176 a208" order="S"/>
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                     <bond atomRefs2="a179 a205" order="S"/>
                     <bond atomRefs2="a180 a202" order="S"/>
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                     <bond atomRefs2="a182 a196" order="S"/>
                     <bond atomRefs2="a183 a207" order="S"/>
                     <bond atomRefs2="a184 a220" order="S"/>
                     <bond atomRefs2="a185 a208" order="S"/>
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                     <bond atomRefs2="a190 a219" order="S"/>
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                     <bond atomRefs2="a226 a228" order="S"/>
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                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
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               <molecule id="calculation.position.26">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           xFract="0.00622365"
                           y3="15.72744"
                           yFract="0.99501715"
                           z3="26.14752"
                           zFract="0.67018631"/>
                     <atom elementType="Mg"
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                           xFract="0.01168409"
                           y3="10.31762"
                           yFract="0.65275778"
                           z3="27.46831"
                           zFract="0.70403944"/>
                     <atom elementType="Mg"
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                           x3="2.48787"
                           xFract="0.25974892"
                           y3="6.15769"
                           yFract="0.38957434"
                           z3="20.28156"
                           zFract="0.51983606"/>
                     <atom elementType="Mg"
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                           x3="2.55042"
                           xFract="0.26627953"
                           y3="1.7746"
                           yFract="0.1122724"
                           z3="24.3069"
                           zFract="0.62300943"/>
                     <atom elementType="Mg"
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                           xFract="0.01506372"
                           y3="4.20509"
                           yFract="0.26604054"
                           z3="22.85442"
                           zFract="0.58578096"/>
                     <atom elementType="Mg"
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                           x3="0.0884"
                           xFract="0.0092295"
                           y3="8.78769"
                           yFract="0.55596475"
                           z3="18.79141"
                           zFract="0.48164207"/>
                     <atom elementType="Mg"
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                           x3="2.42726"
                           xFract="0.25342087"
                           y3="0.96749"
                           yFract="0.06120953"
                           z3="18.79119"
                           zFract="0.48163643"/>
                     <atom elementType="Mg"
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                           xFract="0.25365265"
                           y3="12.16139"
                           yFract="0.76940631"
                           z3="22.70289"
                           zFract="0.5818971"/>
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                           x3="4.78359"
                           xFract="0.49943621"
                           y3="9.56809"
                           yFract="0.60533778"
                           z3="24.08533"
                           zFract="0.61733038"/>
                     <atom elementType="Mg"
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                           x3="4.81921"
                           xFract="0.50315515"
                           y3="14.1420"
                           yFract="0.8947122"
                           z3="20.27727"
                           zFract="0.51972611"/>
                     <atom elementType="Mg"
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                           x3="2.43489"
                           xFract="0.25421749"
                           y3="6.75242"
                           yFract="0.42720072"
                           z3="23.41792"
                           zFract="0.60022401"/>
                     <atom elementType="Mg"
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                           x3="2.45528"
                           xFract="0.25634633"
                           y3="11.46568"
                           yFract="0.7253913"
                           z3="19.53339"
                           zFract="0.50065974"/>
                     <atom elementType="Mg"
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                           x3="0.06371"
                           xFract="0.00665172"
                           y3="3.56469"
                           yFract="0.22552479"
                           z3="19.5371"
                           zFract="0.50075483"/>
                     <atom elementType="Mg"
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                           xFract="0.00736794"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.36463"
                           zFract="0.59885814"/>
                     <atom elementType="Mg"
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                           x3="2.40654"
                           xFract="0.25125757"
                           y3="7.59653"
                           yFract="0.48060445"
                           z3="26.30294"
                           zFract="0.67416988"/>
                     <atom elementType="Mg"
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                           x3="2.7072"
                           xFract="0.28264832"
                           y3="4.46517"
                           yFract="0.28249484"
                           z3="25.87731"
                           zFract="0.66326057"/>
                     <atom elementType="Mg"
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                           x3="0.08342"
                           xFract="0.00870956"
                           y3="1.3053"
                           yFract="0.08258152"
                           z3="21.53417"
                           zFract="0.55194167"/>
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                           x3="0.04304"
                           xFract="0.00449364"
                           y3="12.6244"
                           yFract="0.79869924"
                           z3="25.66018"
                           zFract="0.65769531"/>
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                           x3="2.52084"
                           xFract="0.26319119"
                           y3="15.31678"
                           yFract="0.9690362"
                           z3="12.74436"
                           zFract="0.32665031"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.45226"
                           xFract="0.25603102"
                           y3="10.74886"
                           yFract="0.68004074"
                           z3="16.37048"
                           zFract="0.41959129"/>
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                           x3="0.11137"
                           xFract="0.01162771"
                           y3="13.37565"
                           yFract="0.84622806"
                           z3="15.01967"
                           zFract="0.38496872"/>
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                           x3="2.36229"
                           xFract="0.2466376"
                           y3="5.35417"
                           yFract="0.3387386"
                           z3="14.76997"
                           zFract="0.37856866"/>
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                           id="a23"
                           x3="4.77043"
                           xFract="0.49806222"
                           y3="2.9257"
                           yFract="0.18509825"
                           z3="16.2240"
                           zFract="0.41583686"/>
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                           xFract="0.00567134"
                           y3="7.21394"
                           yFract="0.45639939"
                           z3="12.9094"
                           zFract="0.33088045"/>
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                           x3="2.47922"
                           xFract="0.25884581"
                           y3="0.36748"
                           yFract="0.0232491"
                           z3="15.64918"
                           zFract="0.40110367"/>
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                           x3="0.06113"
                           xFract="0.00638235"
                           y3="12.59191"
                           yFract="0.79664372"
                           z3="11.53787"
                           zFract="0.2957268"/>
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                           x3="0.04863"
                           xFract="0.00507727"
                           y3="8.18523"
                           yFract="0.51784932"
                           z3="15.6971"
                           zFract="0.40233191"/>
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                           xFract="0.25644969"
                           y3="13.78777"
                           yFract="0.87230138"
                           z3="17.59535"
                           zFract="0.4509859"/>
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                           xFract="0.23045047"
                           y3="2.64787"
                           yFract="0.16752097"
                           z3="13.19675"
                           zFract="0.33824551"/>
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                           xFract="0.25635155"
                           y3="9.14123"
                           yFract="0.57833192"
                           z3="21.47269"
                           zFract="0.55036588"/>
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                           xFract="0.00801317"
                           y3="10.29475"
                           yFract="0.65131088"
                           z3="13.3836"
                           zFract="0.34303466"/>
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                           xFract="0.74706775"
                           y3="7.64012"
                           yFract="0.48336222"
                           z3="26.31292"
                           zFract="0.67442567"/>
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                           xFract="0.50801735"
                           y3="10.29473"
                           yFract="0.65130961"
                           z3="13.38352"
                           zFract="0.34303261"/>
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                           xFract="0.50033514"
                           y3="10.4165"
                           yFract="0.65901355"
                           z3="27.57352"
                           zFract="0.70673608"/>
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                           xFract="0.75917782"
                           y3="6.16199"
                           yFract="0.38984639"
                           z3="20.28225"
                           zFract="0.51985375"/>
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                           xFract="0.76694042"
                           y3="1.78059"
                           yFract="0.11265136"
                           z3="24.29858"
                           zFract="0.62279619"/>
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                           xFract="0.51528297"
                           y3="4.19715"
                           yFract="0.26553821"
                           z3="22.84096"
                           zFract="0.58543597"/>
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                           xFract="0.50937463"
                           y3="8.78784"
                           yFract="0.55597424"
                           z3="18.79434"
                           zFract="0.48171717"/>
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                           id="a39"
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                           xFract="0.75356808"
                           y3="0.96781"
                           yFract="0.06122977"
                           z3="18.7915"
                           zFract="0.48164438"/>
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                           x3="7.23291"
                           xFract="0.75516027"
                           y3="12.16178"
                           yFract="0.76943098"
                           z3="22.71523"
                           zFract="0.58221339"/>
                     <atom elementType="Mg"
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                           x3="0.00599"
                           xFract="0.00062539"
                           y3="9.55283"
                           yFract="0.60437233"
                           z3="24.03787"
                           zFract="0.61611393"/>
                     <atom elementType="Mg"
                           id="a42"
                           x3="0.02997"
                           xFract="0.00312905"
                           y3="14.14484"
                           yFract="0.89489188"
                           z3="20.27617"
                           zFract="0.51969791"/>
                     <atom elementType="Mg"
                           id="a43"
                           x3="7.22013"
                           xFract="0.75382596"
                           y3="6.76257"
                           yFract="0.42784287"
                           z3="23.41859"
                           zFract="0.60024119"/>
                     <atom elementType="Mg"
                           id="a44"
                           x3="7.24047"
                           xFract="0.75594958"
                           y3="11.46747"
                           yFract="0.72550455"
                           z3="19.53525"
                           zFract="0.50070741"/>
                     <atom elementType="Mg"
                           id="a45"
                           x3="4.85034"
                           xFract="0.50640532"
                           y3="3.56457"
                           yFract="0.2255172"
                           z3="19.53495"
                           zFract="0.50069973"/>
                     <atom elementType="Mg"
                           id="a46"
                           x3="4.86056"
                           xFract="0.50747235"
                           y3="14.75697"
                           yFract="0.93361909"
                           z3="23.35834"
                           zFract="0.59869692"/>
                     <atom elementType="Mg"
                           id="a47"
                           x3="4.83054"
                           xFract="0.50433808"
                           y3="5.82353"
                           yFract="0.36843327"
                           z3="17.54036"
                           zFract="0.44957645"/>
                     <atom elementType="Mg"
                           id="a48"
                           x3="7.48696"
                           xFract="0.78168466"
                           y3="4.4914"
                           yFract="0.28415432"
                           z3="25.87358"
                           zFract="0.66316496"/>
                     <atom elementType="Mg"
                           id="a49"
                           x3="4.87495"
                           xFract="0.50897475"
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                     <bond atomRefs2="a159 a196" order="S"/>
                     <bond atomRefs2="a160 a195" order="S"/>
                     <bond atomRefs2="a161 a197" order="S"/>
                     <bond atomRefs2="a162 a197" order="S"/>
                     <bond atomRefs2="a163 a196" order="S"/>
                     <bond atomRefs2="a164 a207" order="S"/>
                     <bond atomRefs2="a165 a198" order="S"/>
                     <bond atomRefs2="a168 a217" order="S"/>
                     <bond atomRefs2="a169 a218" order="S"/>
                     <bond atomRefs2="a170 a219" order="S"/>
                     <bond atomRefs2="a171 a208" order="S"/>
                     <bond atomRefs2="a172 a220" order="S"/>
                     <bond atomRefs2="a173 a221" order="S"/>
                     <bond atomRefs2="a174 a221" order="S"/>
                     <bond atomRefs2="a175 a222" order="S"/>
                     <bond atomRefs2="a176 a208" order="S"/>
                     <bond atomRefs2="a178 a219" order="S"/>
                     <bond atomRefs2="a179 a205" order="S"/>
                     <bond atomRefs2="a180 a202" order="S"/>
                     <bond atomRefs2="a181 a195" order="S"/>
                     <bond atomRefs2="a182 a196" order="S"/>
                     <bond atomRefs2="a183 a207" order="S"/>
                     <bond atomRefs2="a184 a220" order="S"/>
                     <bond atomRefs2="a185 a208" order="S"/>
                     <bond atomRefs2="a186 a222" order="S"/>
                     <bond atomRefs2="a188 a217" order="S"/>
                     <bond atomRefs2="a189 a216" order="S"/>
                     <bond atomRefs2="a190 a219" order="S"/>
                     <bond atomRefs2="a191 a217" order="S"/>
                     <bond atomRefs2="a192 a216" order="S"/>
                     <bond atomRefs2="a225 a226" order="S"/>
                     <bond atomRefs2="a226 a230" order="S"/>
                     <bond atomRefs2="a226 a227" order="S"/>
                     <bond atomRefs2="a226 a228" order="S"/>
                     <bond atomRefs2="a229 a230" order="S"/>
                  </bondArray>
                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.27">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Mg"
                           id="a1"
                           x3="0.05959"
                           xFract="0.00622156"
                           y3="15.72743"
                           yFract="0.99501651"
                           z3="26.14753"
                           zFract="0.67018657"/>
                     <atom elementType="Mg"
                           id="a2"
                           x3="0.1118"
                           xFract="0.01167261"
                           y3="10.31762"
                           yFract="0.65275778"
                           z3="27.46838"
                           zFract="0.70404124"/>
                     <atom elementType="Mg"
                           id="a3"
                           x3="2.48785"
                           xFract="0.25974684"
                           y3="6.15769"
                           yFract="0.38957434"
                           z3="20.28158"
                           zFract="0.51983658"/>
                     <atom elementType="Mg"
                           id="a4"
                           x3="2.55041"
                           xFract="0.26627848"
                           y3="1.77458"
                           yFract="0.11227113"
                           z3="24.30691"
                           zFract="0.62300969"/>
                     <atom elementType="Mg"
                           id="a5"
                           x3="0.14428"
                           xFract="0.01506372"
                           y3="4.20508"
                           yFract="0.26603991"
                           z3="22.85442"
                           zFract="0.58578096"/>
                     <atom elementType="Mg"
                           id="a6"
                           x3="0.0884"
                           xFract="0.0092295"
                           y3="8.78767"
                           yFract="0.55596348"
                           z3="18.79141"
                           zFract="0.48164207"/>
                     <atom elementType="Mg"
                           id="a7"
                           x3="2.42726"
                           xFract="0.25342087"
                           y3="0.96748"
                           yFract="0.06120889"
                           z3="18.7912"
                           zFract="0.48163669"/>
                     <atom elementType="Mg"
                           id="a8"
                           x3="2.4295"
                           xFract="0.25365474"
                           y3="12.1614"
                           yFract="0.76940694"
                           z3="22.70288"
                           zFract="0.58189685"/>
                     <atom elementType="Mg"
                           id="a9"
                           x3="4.78363"
                           xFract="0.49944038"
                           y3="9.56808"
                           yFract="0.60533715"
                           z3="24.08537"
                           zFract="0.61733141"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="4.8192"
                           xFract="0.50315411"
                           y3="14.1420"
                           yFract="0.8947122"
                           z3="20.2773"
                           zFract="0.51972688"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.43488"
                           xFract="0.25421644"
                           y3="6.75242"
                           yFract="0.42720072"
                           z3="23.41792"
                           zFract="0.60022401"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.45528"
                           xFract="0.25634633"
                           y3="11.46569"
                           yFract="0.72539193"
                           z3="19.53341"
                           zFract="0.50066025"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.06371"
                           xFract="0.00665172"
                           y3="3.56468"
                           yFract="0.22552416"
                           z3="19.53711"
                           zFract="0.50075509"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.07055"
                           xFract="0.00736585"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.36464"
                           zFract="0.5988584"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.40653"
                           xFract="0.25125653"
                           y3="7.59649"
                           yFract="0.48060192"
                           z3="26.30294"
                           zFract="0.67416988"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.70721"
                           xFract="0.28264937"
                           y3="4.46517"
                           yFract="0.28249484"
                           z3="25.87731"
                           zFract="0.66326057"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.08341"
                           xFract="0.00870852"
                           y3="1.30529"
                           yFract="0.08258089"
                           z3="21.53417"
                           zFract="0.55194167"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.04301"
                           xFract="0.00449051"
                           y3="12.6244"
                           yFract="0.79869924"
                           z3="25.66019"
                           zFract="0.65769557"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.52084"
                           xFract="0.26319119"
                           y3="15.31679"
                           yFract="0.96903683"
                           z3="12.74438"
                           zFract="0.32665083"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.45224"
                           xFract="0.25602893"
                           y3="10.74886"
                           yFract="0.68004074"
                           z3="16.37049"
                           zFract="0.41959154"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="0.11137"
                           xFract="0.01162771"
                           y3="13.37564"
                           yFract="0.84622743"
                           z3="15.01967"
                           zFract="0.38496872"/>
                     <atom elementType="Mg"
                           id="a22"
                           x3="2.36229"
                           xFract="0.2466376"
                           y3="5.35416"
                           yFract="0.33873796"
                           z3="14.76996"
                           zFract="0.37856841"/>
                     <atom elementType="Mg"
                           id="a23"
                           x3="4.77043"
                           xFract="0.49806222"
                           y3="2.9257"
                           yFract="0.18509825"
                           z3="16.2240"
                           zFract="0.41583686"/>
                     <atom elementType="Mg"
                           id="a24"
                           x3="0.05431"
                           xFract="0.0056703"
                           y3="7.21393"
                           yFract="0.45639875"
                           z3="12.90941"
                           zFract="0.33088071"/>
                     <atom elementType="Mg"
                           id="a25"
                           x3="2.47922"
                           xFract="0.25884581"
                           y3="0.36748"
                           yFract="0.0232491"
                           z3="15.64919"
                           zFract="0.40110393"/>
                     <atom elementType="Mg"
                           id="a26"
                           x3="0.06113"
                           xFract="0.00638235"
                           y3="12.59189"
                           yFract="0.79664246"
                           z3="11.53788"
                           zFract="0.29572706"/>
                     <atom elementType="Mg"
                           id="a27"
                           x3="0.04863"
                           xFract="0.00507727"
                           y3="8.18522"
                           yFract="0.51784869"
                           z3="15.6971"
                           zFract="0.40233191"/>
                     <atom elementType="Mg"
                           id="a28"
                           x3="2.45627"
                           xFract="0.25644969"
                           y3="13.78776"
                           yFract="0.87230074"
                           z3="17.59537"
                           zFract="0.45098641"/>
                     <atom elementType="Mg"
                           id="a29"
                           x3="2.20726"
                           xFract="0.23045151"
                           y3="2.64789"
                           yFract="0.16752224"
                           z3="13.19675"
                           zFract="0.33824551"/>
                     <atom elementType="Mg"
                           id="a30"
                           x3="2.45534"
                           xFract="0.25635259"
                           y3="9.14123"
                           yFract="0.57833192"
                           z3="21.47268"
                           zFract="0.55036563"/>
                     <atom elementType="Mg"
                           id="a31"
                           x3="0.07676"
                           xFract="0.00801422"
                           y3="10.29473"
                           yFract="0.65130961"
                           z3="13.3836"
                           zFract="0.34303466"/>
                     <atom elementType="Mg"
                           id="a32"
                           x3="7.15536"
                           xFract="0.74706358"
                           y3="7.64012"
                           yFract="0.48336222"
                           z3="26.31296"
                           zFract="0.6744267"/>
                     <atom elementType="Mg"
                           id="a33"
                           x3="4.86578"
                           xFract="0.50801735"
                           y3="10.29471"
                           yFract="0.65130835"
                           z3="13.38352"
                           zFract="0.34303261"/>
                     <atom elementType="Mg"
                           id="a34"
                           x3="4.79223"
                           xFract="0.50033828"
                           y3="10.41652"
                           yFract="0.65901482"
                           z3="27.57361"
                           zFract="0.70673838"/>
                     <atom elementType="Mg"
                           id="a35"
                           x3="7.27138"
                           xFract="0.75917678"
                           y3="6.16198"
                           yFract="0.38984576"
                           z3="20.28227"
                           zFract="0.51985426"/>
                     <atom elementType="Mg"
                           id="a36"
                           x3="7.34572"
                           xFract="0.76693833"
                           y3="1.78058"
                           yFract="0.11265073"
                           z3="24.29859"
                           zFract="0.62279644"/>
                     <atom elementType="Mg"
                           id="a37"
                           x3="4.93535"
                           xFract="0.51528088"
                           y3="4.19714"
                           yFract="0.26553757"
                           z3="22.84097"
                           zFract="0.58543623"/>
                     <atom elementType="Mg"
                           id="a38"
                           x3="4.87876"
                           xFract="0.50937254"
                           y3="8.78783"
                           yFract="0.55597361"
                           z3="18.79434"
                           zFract="0.48171717"/>
                     <atom elementType="Mg"
                           id="a39"
                           x3="7.21766"
                           xFract="0.75356808"
                           y3="0.9678"
                           yFract="0.06122914"
                           z3="18.79151"
                           zFract="0.48164464"/>
                     <atom elementType="Mg"
                           id="a40"
                           x3="7.23291"
                           xFract="0.75516027"
                           y3="12.1618"
                           yFract="0.76943225"
                           z3="22.71523"
                           zFract="0.58221339"/>
                     <atom elementType="Mg"
                           id="a41"
                           x3="0.00598"
                           xFract="0.00062435"
                           y3="9.55282"
                           yFract="0.6043717"
                           z3="24.0379"
                           zFract="0.6161147"/>
                     <atom elementType="Mg"
                           id="a42"
                           x3="0.02997"
                           xFract="0.00312905"
                           y3="14.14485"
                           yFract="0.89489251"
                           z3="20.27618"
                           zFract="0.51969817"/>
                     <atom elementType="Mg"
                           id="a43"
                           x3="7.22012"
                           xFract="0.75382492"
                           y3="6.76256"
                           yFract="0.42784224"
                           z3="23.41861"
                           zFract="0.6002417"/>
                     <atom elementType="Mg"
                           id="a44"
                           x3="7.24047"
                           xFract="0.75594958"
                           y3="11.46746"
                           yFract="0.72550392"
                           z3="19.53526"
                           zFract="0.50070767"/>
                     <atom elementType="Mg"
                           id="a45"
                           x3="4.85034"
                           xFract="0.50640532"
                           y3="3.56455"
                           yFract="0.22551594"
                           z3="19.53496"
                           zFract="0.50069998"/>
                     <atom elementType="Mg"
                           id="a46"
                           x3="4.86056"
                           xFract="0.50747235"
                           y3="14.75697"
                           yFract="0.93361909"
                           z3="23.35836"
                           zFract="0.59869743"/>
                     <atom elementType="Mg"
                           id="a47"
                           x3="4.83054"
                           xFract="0.50433808"
                           y3="5.82352"
                           yFract="0.36843264"
                           z3="17.54037"
                           zFract="0.4495767"/>
                     <atom elementType="Mg"
                           id="a48"
                           x3="7.48696"
                           xFract="0.78168466"
                           y3="4.49142"
                           yFract="0.28415558"
                           z3="25.87359"
                           zFract="0.66316522"/>
                     <atom elementType="Mg"
                           id="a49"
                           x3="4.87495"
                           xFract="0.50897475"
                           y3="1.30496"
                           yFract="0.08256001"
                           z3="21.52518"
                           zFract="0.55171125"/>
                     <atom elementType="Mg"
                           id="a50"
                           x3="4.8739"
                           xFract="0.50886513"
                           y3="12.58763"
                           yFract="0.79637294"
                           z3="25.55797"
                           zFract="0.65507557"/>
                     <atom elementType="Mg"
                           id="a51"
                           x3="7.31015"
                           xFract="0.7632246"
                           y3="15.31673"
                           yFract="0.96903304"
                           z3="12.74389"
                           zFract="0.32663827"/>
                     <atom elementType="Mg"
                           id="a52"
                           x3="7.24148"
                           xFract="0.75605503"
                           y3="10.74851"
                           yFract="0.6800186"
                           z3="16.37113"
                           zFract="0.41960795"/>
                     <atom elementType="Mg"
                           id="a53"
                           x3="4.90011"
                           xFract="0.51160161"
                           y3="13.3755"
                           yFract="0.84621857"
                           z3="15.0196"
                           zFract="0.38496692"/>
                     <atom elementType="Mg"
                           id="a54"
                           x3="7.15143"
                           xFract="0.74665326"
                           y3="5.35397"
                           yFract="0.33872594"
                           z3="14.77028"
                           zFract="0.37857661"/>
                     <atom elementType="Mg"
                           id="a55"
                           x3="9.55906"
                           xFract="0.99802464"
                           y3="2.92628"
                           yFract="0.18513495"
                           z3="16.22422"
                           zFract="0.4158425"/>
                     <atom elementType="Mg"
                           id="a56"
                           x3="4.8430"
                           xFract="0.50563898"
                           y3="7.21377"
                           yFract="0.45638863"
                           z3="12.91012"
                           zFract="0.3308989"/>
                     <atom elementType="Mg"
                           id="a57"
                           x3="7.26759"
                           xFract="0.75878108"
                           y3="0.36745"
                           yFract="0.02324721"
                           z3="15.64897"
                           zFract="0.40109829"/>
                     <atom elementType="Mg"
                           id="a58"
                           x3="4.85127"
                           xFract="0.50650241"
                           y3="12.59308"
                           yFract="0.79671774"
                           z3="11.53872"
                           zFract="0.29574859"/>
                     <atom elementType="Mg"
                           id="a59"
                           x3="4.83788"
                           xFract="0.50510442"
                           y3="8.18629"
                           yFract="0.51791639"
                           z3="15.6981"
                           zFract="0.40235754"/>
                     <atom elementType="Mg"
                           id="a60"
                           x3="7.24539"
                           xFract="0.75646326"
                           y3="13.78829"
                           yFract="0.87233427"
                           z3="17.59593"
                           zFract="0.45100076"/>
                     <atom elementType="Mg"
                           id="a61"
                           x3="6.9962"
                           xFract="0.73044629"
                           y3="2.64802"
                           yFract="0.16753046"
                           z3="13.19687"
                           zFract="0.33824858"/>
                     <atom elementType="Mg"
                           id="a62"
                           x3="7.23887"
                           xFract="0.75578253"
                           y3="9.14769"
                           yFract="0.57874062"
                           z3="21.47753"
                           zFract="0.55048994"/>
                     <atom elementType="Mg"
                           id="a63"
                           x3="0.04133"
                           xFract="0.00431511"
                           y3="5.82341"
                           yFract="0.36842568"
                           z3="17.54188"
                           zFract="0.44961541"/>
                     <atom elementType="Mg"
                           id="a64"
                           x3="4.88965"
                           xFract="0.51050952"
                           y3="15.7089"
                           yFract="0.99384419"
                           z3="26.13595"
                           zFract="0.66988976"/>
                     <atom elementType="O"
                           id="a65"
                           x3="5.90599"
                           xFract="0.61662167"
                           y3="5.93537"
                           yFract="0.37550898"
                           z3="22.05797"
                           zFract="0.56536718"/>
                     <atom elementType="O"
                           id="a66"
                           x3="5.91072"
                           xFract="0.61711551"
                           y3="12.96204"
                           yFract="0.82006048"
                           z3="18.95688"
                           zFract="0.48588323"/>
                     <atom elementType="O"
                           id="a67"
                           x3="5.91084"
                           xFract="0.61712804"
                           y3="8.40362"
                           yFract="0.53166606"
                           z3="22.87823"
                           zFract="0.58639124"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.32442"
                           xFract="0.86912063"
                           y3="13.19892"
                           yFract="0.83504701"
                           z3="24.11399"
                           zFract="0.61806496"/>
                     <atom elementType="O"
                           id="a69"
                           x3="8.33049"
                           xFract="0.86975437"
                           y3="2.05677"
                           yFract="0.13012426"
                           z3="20.1131"
                           zFract="0.51551827"/>
                     <atom elementType="O"
                           id="a70"
                           x3="8.57141"
                           xFract="0.8949079"
                           y3="9.97369"
                           yFract="0.6309986"
                           z3="20.10373"
                           zFract="0.51527811"/>
                     <atom elementType="O"
                           id="a71"
                           x3="8.59268"
                           xFract="0.89712862"
                           y3="5.46215"
                           yFract="0.34557009"
                           z3="24.1440"
                           zFract="0.61883415"/>
                     <atom elementType="O"
                           id="a72"
                           x3="5.91351"
                           xFract="0.6174068"
                           y3="7.93734"
                           yFract="0.50216624"
                           z3="20.3557"
                           zFract="0.52173634"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.19147"
                           xFract="0.64642753"
                           y3="0.47843"
                           yFract="0.0302685"
                           z3="22.87125"
                           zFract="0.58621233"/>
                     <atom elementType="O"
                           id="a74"
                           x3="8.52004"
                           xFract="0.88954456"
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                     <bond atomRefs2="a174 a221" order="S"/>
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                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
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               <molecule id="calculation.position.29">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           y3="15.72743"
                           yFract="0.99501651"
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                           zFract="0.67018657"/>
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                           yFract="0.65275778"
                           z3="27.46838"
                           zFract="0.70404124"/>
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                           y3="6.15769"
                           yFract="0.38957434"
                           z3="20.28158"
                           zFract="0.51983658"/>
                     <atom elementType="Mg"
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                           xFract="0.26627848"
                           y3="1.77458"
                           yFract="0.11227113"
                           z3="24.30691"
                           zFract="0.62300969"/>
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                           y3="4.20508"
                           yFract="0.26603991"
                           z3="22.85442"
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                           xFract="0.0092295"
                           y3="8.78767"
                           yFract="0.55596348"
                           z3="18.79141"
                           zFract="0.48164207"/>
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                           xFract="0.25342087"
                           y3="0.96748"
                           yFract="0.06120889"
                           z3="18.7912"
                           zFract="0.48163669"/>
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                           xFract="0.25365474"
                           y3="12.1614"
                           yFract="0.76940694"
                           z3="22.70288"
                           zFract="0.58189685"/>
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                           x3="4.78363"
                           xFract="0.49944038"
                           y3="9.56808"
                           yFract="0.60533715"
                           z3="24.08536"
                           zFract="0.61733115"/>
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                           xFract="0.50315411"
                           y3="14.1420"
                           yFract="0.8947122"
                           z3="20.2773"
                           zFract="0.51972688"/>
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                           xFract="0.25421644"
                           y3="6.75242"
                           yFract="0.42720072"
                           z3="23.41792"
                           zFract="0.60022401"/>
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                           xFract="0.25634633"
                           y3="11.46569"
                           yFract="0.72539193"
                           z3="19.53341"
                           zFract="0.50066025"/>
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                           xFract="0.00665172"
                           y3="3.56468"
                           yFract="0.22552416"
                           z3="19.53711"
                           zFract="0.50075509"/>
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                           xFract="0.00736585"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.36464"
                           zFract="0.5988584"/>
                     <atom elementType="Mg"
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                           x3="2.40653"
                           xFract="0.25125653"
                           y3="7.59649"
                           yFract="0.48060192"
                           z3="26.30294"
                           zFract="0.67416988"/>
                     <atom elementType="Mg"
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                           x3="2.70721"
                           xFract="0.28264937"
                           y3="4.46517"
                           yFract="0.28249484"
                           z3="25.87731"
                           zFract="0.66326057"/>
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                           xFract="0.00870852"
                           y3="1.30529"
                           yFract="0.08258089"
                           z3="21.53417"
                           zFract="0.55194167"/>
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                           xFract="0.00449051"
                           y3="12.6244"
                           yFract="0.79869924"
                           z3="25.66019"
                           zFract="0.65769557"/>
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                           xFract="0.26319119"
                           y3="15.31679"
                           yFract="0.96903683"
                           z3="12.74438"
                           zFract="0.32665083"/>
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                           xFract="0.25602893"
                           y3="10.74886"
                           yFract="0.68004074"
                           z3="16.37049"
                           zFract="0.41959154"/>
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                           xFract="0.01162771"
                           y3="13.37564"
                           yFract="0.84622743"
                           z3="15.01967"
                           zFract="0.38496872"/>
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                           xFract="0.2466376"
                           y3="5.35416"
                           yFract="0.33873796"
                           z3="14.76996"
                           zFract="0.37856841"/>
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                           xFract="0.49806222"
                           y3="2.9257"
                           yFract="0.18509825"
                           z3="16.2240"
                           zFract="0.41583686"/>
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                           xFract="0.00567134"
                           y3="7.21393"
                           yFract="0.45639875"
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                           y3="0.36748"
                           yFract="0.0232491"
                           z3="15.64919"
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                           xFract="0.00638235"
                           y3="12.59189"
                           yFract="0.79664246"
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                           zFract="0.29572706"/>
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                           xFract="0.00507727"
                           y3="8.18522"
                           yFract="0.51784869"
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                           xFract="0.25644969"
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                           yFract="0.87230074"
                           z3="17.59537"
                           zFract="0.45098641"/>
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                           y3="2.64789"
                           yFract="0.16752224"
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                           xFract="0.25635259"
                           y3="9.14123"
                           yFract="0.57833192"
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                           y3="10.29473"
                           yFract="0.65130961"
                           z3="13.3836"
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                           xFract="0.74706358"
                           y3="7.64012"
                           yFract="0.48336222"
                           z3="26.31296"
                           zFract="0.6744267"/>
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                           xFract="0.50801735"
                           y3="10.29471"
                           yFract="0.65130835"
                           z3="13.38352"
                           zFract="0.34303261"/>
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                           y3="10.41652"
                           yFract="0.65901482"
                           z3="27.5736"
                           zFract="0.70673813"/>
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                           y3="6.16198"
                           yFract="0.38984576"
                           z3="20.28227"
                           zFract="0.51985426"/>
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                           xFract="0.76693833"
                           y3="1.78058"
                           yFract="0.11265073"
                           z3="24.29859"
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                           xFract="0.51528088"
                           y3="4.19714"
                           yFract="0.26553757"
                           z3="22.84097"
                           zFract="0.58543623"/>
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                           xFract="0.50937254"
                           y3="8.78783"
                           yFract="0.55597361"
                           z3="18.79434"
                           zFract="0.48171717"/>
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                           id="a39"
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                           xFract="0.75356808"
                           y3="0.9678"
                           yFract="0.06122914"
                           z3="18.79151"
                           zFract="0.48164464"/>
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                           id="a40"
                           x3="7.23291"
                           xFract="0.75516027"
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                     <bond atomRefs2="a107 a193" order="S"/>
                     <bond atomRefs2="a108 a206" order="S"/>
                     <bond atomRefs2="a109 a203" order="S"/>
                     <bond atomRefs2="a110 a193" order="S"/>
                     <bond atomRefs2="a111 a203" order="S"/>
                     <bond atomRefs2="a112 a204" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a115 a201" order="S"/>
                     <bond atomRefs2="a116 a204" order="S"/>
                     <bond atomRefs2="a117 a210" order="S"/>
                     <bond atomRefs2="a118 a201" order="S"/>
                     <bond atomRefs2="a119 a205" order="S"/>
                     <bond atomRefs2="a120 a215" order="S"/>
                     <bond atomRefs2="a121 a223" order="S"/>
                     <bond atomRefs2="a122 a202" order="S"/>
                     <bond atomRefs2="a123 a199" order="S"/>
                     <bond atomRefs2="a124 a200" order="S"/>
                     <bond atomRefs2="a125 a203" order="S"/>
                     <bond atomRefs2="a126 a193" order="S"/>
                     <bond atomRefs2="a127 a204" order="S"/>
                     <bond atomRefs2="a129 a201" order="S"/>
                     <bond atomRefs2="a130 a206" order="S"/>
                     <bond atomRefs2="a131 a221" order="S"/>
                     <bond atomRefs2="a132 a222" order="S"/>
                     <bond atomRefs2="a133 a204" order="S"/>
                     <bond atomRefs2="a135 a193" order="S"/>
                     <bond atomRefs2="a136 a206" order="S"/>
                     <bond atomRefs2="a137 a220" order="S"/>
                     <bond atomRefs2="a138 a198" order="S"/>
                     <bond atomRefs2="a139 a197" order="S"/>
                     <bond atomRefs2="a140 a206" order="S"/>
                     <bond atomRefs2="a141 a199" order="S"/>
                     <bond atomRefs2="a142 a202" order="S"/>
                     <bond atomRefs2="a143 a200" order="S"/>
                     <bond atomRefs2="a144 a224" order="S"/>
                     <bond atomRefs2="a145 a207" order="S"/>
                     <bond atomRefs2="a146 a200" order="S"/>
                     <bond atomRefs2="a147 a199" order="S"/>
                     <bond atomRefs2="a148 a208" order="S"/>
                     <bond atomRefs2="a149 a195" order="S"/>
                     <bond atomRefs2="a150 a198" order="S"/>
                     <bond atomRefs2="a152 a203" order="S"/>
                     <bond atomRefs2="a153 a215" order="S"/>
                     <bond atomRefs2="a154 a214" order="S"/>
                     <bond atomRefs2="a155 a200" order="S"/>
                     <bond atomRefs2="a156 a199" order="S"/>
                     <bond atomRefs2="a159 a196" order="S"/>
                     <bond atomRefs2="a160 a195" order="S"/>
                     <bond atomRefs2="a161 a197" order="S"/>
                     <bond atomRefs2="a162 a197" order="S"/>
                     <bond atomRefs2="a163 a196" order="S"/>
                     <bond atomRefs2="a164 a207" order="S"/>
                     <bond atomRefs2="a165 a198" order="S"/>
                     <bond atomRefs2="a168 a217" order="S"/>
                     <bond atomRefs2="a169 a218" order="S"/>
                     <bond atomRefs2="a170 a219" order="S"/>
                     <bond atomRefs2="a171 a208" order="S"/>
                     <bond atomRefs2="a172 a220" order="S"/>
                     <bond atomRefs2="a173 a221" order="S"/>
                     <bond atomRefs2="a174 a221" order="S"/>
                     <bond atomRefs2="a175 a222" order="S"/>
                     <bond atomRefs2="a176 a208" order="S"/>
                     <bond atomRefs2="a178 a219" order="S"/>
                     <bond atomRefs2="a179 a205" order="S"/>
                     <bond atomRefs2="a180 a202" order="S"/>
                     <bond atomRefs2="a181 a195" order="S"/>
                     <bond atomRefs2="a182 a196" order="S"/>
                     <bond atomRefs2="a183 a207" order="S"/>
                     <bond atomRefs2="a184 a220" order="S"/>
                     <bond atomRefs2="a185 a208" order="S"/>
                     <bond atomRefs2="a186 a222" order="S"/>
                     <bond atomRefs2="a188 a217" order="S"/>
                     <bond atomRefs2="a189 a216" order="S"/>
                     <bond atomRefs2="a190 a219" order="S"/>
                     <bond atomRefs2="a191 a217" order="S"/>
                     <bond atomRefs2="a192 a216" order="S"/>
                     <bond atomRefs2="a225 a226" order="S"/>
                     <bond atomRefs2="a226 a230" order="S"/>
                     <bond atomRefs2="a226 a227" order="S"/>
                     <bond atomRefs2="a226 a228" order="S"/>
                     <bond atomRefs2="a229 a230" order="S"/>
                  </bondArray>
                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.30">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Mg"
                           id="a1"
                           x3="0.05963"
                           xFract="0.00622574"
                           y3="15.72742"
                           yFract="0.99501588"
                           z3="26.1475"
                           zFract="0.6701858"/>
                     <atom elementType="Mg"
                           id="a2"
                           x3="0.11192"
                           xFract="0.01168514"
                           y3="10.31761"
                           yFract="0.65275715"
                           z3="27.46826"
                           zFract="0.70403816"/>
                     <atom elementType="Mg"
                           id="a3"
                           x3="2.48788"
                           xFract="0.25974997"
                           y3="6.15769"
                           yFract="0.38957434"
                           z3="20.28153"
                           zFract="0.5198353"/>
                     <atom elementType="Mg"
                           id="a4"
                           x3="2.55043"
                           xFract="0.26628057"
                           y3="1.77461"
                           yFract="0.11227303"
                           z3="24.30689"
                           zFract="0.62300918"/>
                     <atom elementType="Mg"
                           id="a5"
                           x3="0.14428"
                           xFract="0.01506372"
                           y3="4.20509"
                           yFract="0.26604054"
                           z3="22.85443"
                           zFract="0.58578122"/>
                     <atom elementType="Mg"
                           id="a6"
                           x3="0.08841"
                           xFract="0.00923055"
                           y3="8.78769"
                           yFract="0.55596475"
                           z3="18.7914"
                           zFract="0.48164182"/>
                     <atom elementType="Mg"
                           id="a7"
                           x3="2.42726"
                           xFract="0.25342087"
                           y3="0.96748"
                           yFract="0.06120889"
                           z3="18.79119"
                           zFract="0.48163643"/>
                     <atom elementType="Mg"
                           id="a8"
                           x3="2.42947"
                           xFract="0.25365161"
                           y3="12.1614"
                           yFract="0.76940694"
                           z3="22.70288"
                           zFract="0.58189685"/>
                     <atom elementType="Mg"
                           id="a9"
                           x3="4.78357"
                           xFract="0.49943412"
                           y3="9.56805"
                           yFract="0.60533525"
                           z3="24.08527"
                           zFract="0.61732884"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="4.81921"
                           xFract="0.50315515"
                           y3="14.14199"
                           yFract="0.89471157"
                           z3="20.27724"
                           zFract="0.51972534"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="2.4349"
                           xFract="0.25421853"
                           y3="6.75241"
                           yFract="0.42720009"
                           z3="23.41792"
                           zFract="0.60022401"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.45529"
                           xFract="0.25634737"
                           y3="11.46567"
                           yFract="0.72539067"
                           z3="19.53337"
                           zFract="0.50065923"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.06372"
                           xFract="0.00665276"
                           y3="3.56469"
                           yFract="0.22552479"
                           z3="19.53709"
                           zFract="0.50075458"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0706"
                           xFract="0.00737107"
                           y3="14.74269"
                           yFract="0.93271564"
                           z3="23.36462"
                           zFract="0.59885788"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.40654"
                           xFract="0.25125757"
                           y3="7.59654"
                           yFract="0.48060508"
                           z3="26.30296"
                           zFract="0.67417039"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.70723"
                           xFract="0.28265146"
                           y3="4.46517"
                           yFract="0.28249484"
                           z3="25.87732"
                           zFract="0.66326082"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.08343"
                           xFract="0.0087106"
                           y3="1.3053"
                           yFract="0.08258152"
                           z3="21.53416"
                           zFract="0.55194142"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.04307"
                           xFract="0.00449677"
                           y3="12.62441"
                           yFract="0.79869988"
                           z3="25.66016"
                           zFract="0.6576948"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.52083"
                           xFract="0.26319015"
                           y3="15.31677"
                           yFract="0.96903557"
                           z3="12.74435"
                           zFract="0.32665006"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.45227"
                           xFract="0.25603207"
                           y3="10.74885"
                           yFract="0.68004011"
                           z3="16.37046"
                           zFract="0.41959078"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="0.11138"
                           xFract="0.01162876"
                           y3="13.37563"
                           yFract="0.8462268"
                           z3="15.01967"
                           zFract="0.38496872"/>
                     <atom elementType="Mg"
                           id="a22"
                           x3="2.36232"
                           xFract="0.24664073"
                           y3="5.35417"
                           yFract="0.3387386"
                           z3="14.76999"
                           zFract="0.37856918"/>
                     <atom elementType="Mg"
                           id="a23"
                           x3="4.77045"
                           xFract="0.49806431"
                           y3="2.92569"
                           yFract="0.18509762"
                           z3="16.2240"
                           zFract="0.41583686"/>
                     <atom elementType="Mg"
                           id="a24"
                           x3="0.05433"
                           xFract="0.00567239"
                           y3="7.21394"
                           yFract="0.45639939"
                           z3="12.90938"
                           zFract="0.33087994"/>
                     <atom elementType="Mg"
                           id="a25"
                           x3="2.47923"
                           xFract="0.25884685"
                           y3="0.36748"
                           yFract="0.0232491"
                           z3="15.64917"
                           zFract="0.40110341"/>
                     <atom elementType="Mg"
                           id="a26"
                           x3="0.06114"
                           xFract="0.00638339"
                           y3="12.5919"
                           yFract="0.79664309"
                           z3="11.53787"
                           zFract="0.2957268"/>
                     <atom elementType="Mg"
                           id="a27"
                           x3="0.04862"
                           xFract="0.00507623"
                           y3="8.18523"
                           yFract="0.51784932"
                           z3="15.6971"
                           zFract="0.40233191"/>
                     <atom elementType="Mg"
                           id="a28"
                           x3="2.45628"
                           xFract="0.25645073"
                           y3="13.78776"
                           yFract="0.87230074"
                           z3="17.59534"
                           zFract="0.45098564"/>
                     <atom elementType="Mg"
                           id="a29"
                           x3="2.20725"
                           xFract="0.23045047"
                           y3="2.64786"
                           yFract="0.16752034"
                           z3="13.19676"
                           zFract="0.33824577"/>
                     <atom elementType="Mg"
                           id="a30"
                           x3="2.45533"
                           xFract="0.25635155"
                           y3="9.14122"
                           yFract="0.57833129"
                           z3="21.4727"
                           zFract="0.55036614"/>
                     <atom elementType="Mg"
                           id="a31"
                           x3="0.07674"
                           xFract="0.00801213"
                           y3="10.29476"
                           yFract="0.65131151"
                           z3="13.38361"
                           zFract="0.34303491"/>
                     <atom elementType="Mg"
                           id="a32"
                           x3="7.15545"
                           xFract="0.74707297"
                           y3="7.6401"
                           yFract="0.48336096"
                           z3="26.31288"
                           zFract="0.67442465"/>
                     <atom elementType="Mg"
                           id="a33"
                           x3="4.86576"
                           xFract="0.50801526"
                           y3="10.29475"
                           yFract="0.65131088"
                           z3="13.38352"
                           zFract="0.34303261"/>
                     <atom elementType="Mg"
                           id="a34"
                           x3="4.79232"
                           xFract="0.50034767"
                           y3="10.41644"
                           yFract="0.65900976"
                           z3="27.57335"
                           zFract="0.70673172"/>
                     <atom elementType="Mg"
                           id="a35"
                           x3="7.27142"
                           xFract="0.75918095"
                           y3="6.1620"
                           yFract="0.38984702"
                           z3="20.28223"
                           zFract="0.51985324"/>
                     <atom elementType="Mg"
                           id="a36"
                           x3="7.34575"
                           xFract="0.76694146"
                           y3="1.78059"
                           yFract="0.11265136"
                           z3="24.29857"
                           zFract="0.62279593"/>
                     <atom elementType="Mg"
                           id="a37"
                           x3="4.93539"
                           xFract="0.51528506"
                           y3="4.19716"
                           yFract="0.26553884"
                           z3="22.84095"
                           zFract="0.58543571"/>
                     <atom elementType="Mg"
                           id="a38"
                           x3="4.87879"
                           xFract="0.50937567"
                           y3="8.78784"
                           yFract="0.55597424"
                           z3="18.79433"
                           zFract="0.48171692"/>
                     <atom elementType="Mg"
                           id="a39"
                           x3="7.21765"
                           xFract="0.75356704"
                           y3="0.96781"
                           yFract="0.06122977"
                           z3="18.79149"
                           zFract="0.48164412"/>
                     <atom elementType="Mg"
                           id="a40"
                           x3="7.23289"
                           xFract="0.75515819"
                           y3="12.16177"
                           yFract="0.76943035"
                           z3="22.71522"
                           zFract="0.58221313"/>
                     <atom elementType="Mg"
                           id="a41"
                           x3="0.0060"
                           xFract="0.00062644"
                           y3="9.55285"
                           yFract="0.6043736"
                           z3="24.03783"
                           zFract="0.61611291"/>
                     <atom elementType="Mg"
                           id="a42"
                           x3="0.02996"
                           xFract="0.00312801"
                           y3="14.14483"
                           yFract="0.89489125"
                           z3="20.27616"
                           zFract="0.51969766"/>
                     <atom elementType="Mg"
                           id="a43"
                           x3="7.22014"
                           xFract="0.75382701"
                           y3="6.76256"
                           yFract="0.42784224"
                           z3="23.41856"
                           zFract="0.60024042"/>
                     <atom elementType="Mg"
                           id="a44"
                           x3="7.24047"
                           xFract="0.75594958"
                           y3="11.46747"
                           yFract="0.72550455"
                           z3="19.53523"
                           zFract="0.5007069"/>
                     <atom elementType="Mg"
                           id="a45"
                           x3="4.85035"
                           xFract="0.50640636"
                           y3="3.56456"
                           yFract="0.22551657"
                           z3="19.53494"
                           zFract="0.50069947"/>
                     <atom elementType="Mg"
                           id="a46"
                           x3="4.86056"
                           xFract="0.50747235"
                           y3="14.75697"
                           yFract="0.93361909"
                           z3="23.35833"
                           zFract="0.59869667"/>
                     <atom elementType="Mg"
                           id="a47"
                           x3="4.83054"
                           xFract="0.50433808"
                           y3="5.82354"
                           yFract="0.36843391"
                           z3="17.54036"
                           zFract="0.44957645"/>
                     <atom elementType="Mg"
                           id="a48"
                           x3="7.48694"
                           xFract="0.78168257"
                           y3="4.49137"
                           yFract="0.28415242"
                           z3="25.87361"
                           zFract="0.66316573"/>
                     <atom elementType="Mg"
                           id="a49"
                           x3="4.87496"
                           xFract="0.5089758"
                           y3="1.30496"
                           yFract="0.08256001"
                           z3="21.52517"
                           zFract="0.551711"/>
                     <atom elementType="Mg"
                           id="a50"
                           x3="4.87384"
                           xFract="0.50885886"
                           y3="12.58763"
                           yFract="0.79637294"
                           z3="25.5580"
                           zFract="0.65507634"/>
                     <atom elementType="Mg"
                           id="a51"
                           x3="7.31017"
                           xFract="0.76322669"
                           y3="15.31672"
                           yFract="0.96903241"
                           z3="12.74385"
                           zFract="0.32663724"/>
                     <atom elementType="Mg"
                           id="a52"
                           x3="7.2415"
                           xFract="0.75605712"
                           y3="10.74852"
                           yFract="0.68001923"
                           z3="16.37111"
                           zFract="0.41960744"/>
                     <atom elementType="Mg"
                           id="a53"
                           x3="4.9001"
                           xFract="0.51160057"
                           y3="13.37551"
                           yFract="0.84621921"
                           z3="15.01959"
                           zFract="0.38496667"/>
                     <atom elementType="Mg"
                           id="a54"
                           x3="7.15145"
                           xFract="0.74665535"
                           y3="5.3540"
                           yFract="0.33872784"
                           z3="14.77029"
                           zFract="0.37857687"/>
                     <atom elementType="Mg"
                           id="a55"
                           x3="9.55907"
                           xFract="0.99802568"
                           y3="2.92628"
                           yFract="0.18513495"
                           z3="16.22423"
                           zFract="0.41584276"/>
                     <atom elementType="Mg"
                           id="a56"
                           x3="4.84302"
                           xFract="0.50564106"
                           y3="7.2138"
                           yFract="0.45639053"
                           z3="12.9101"
                           zFract="0.33089839"/>
                     <atom elementType="Mg"
                           id="a57"
                           x3="7.2676"
                           xFract="0.75878212"
                           y3="0.36746"
                           yFract="0.02324784"
                           z3="15.64897"
                           zFract="0.40109829"/>
                     <atom elementType="Mg"
                           id="a58"
                           x3="4.8513"
                           xFract="0.50650555"
                           y3="12.5931"
                           yFract="0.79671901"
                           z3="11.53868"
                           zFract="0.29574757"/>
                     <atom elementType="Mg"
                           id="a59"
                           x3="4.8379"
                           xFract="0.5051065"
                           y3="8.1863"
                           yFract="0.51791702"
                           z3="15.69809"
                           zFract="0.40235728"/>
                     <atom elementType="Mg"
                           id="a60"
                           x3="7.2454"
                           xFract="0.75646431"
                           y3="13.78828"
                           yFract="0.87233364"
                           z3="17.59592"
                           zFract="0.4510005"/>
                     <atom elementType="Mg"
                           id="a61"
                           x3="6.99618"
                           xFract="0.73044421"
                           y3="2.64798"
                           yFract="0.16752793"
                           z3="13.19687"
                           zFract="0.33824858"/>
                     <atom elementType="Mg"
                           id="a62"
                           x3="7.23887"
                           xFract="0.75578253"
                           y3="9.14771"
                           yFract="0.57874189"
                           z3="21.47751"
                           zFract="0.55048942"/>
                     <atom elementType="Mg"
                           id="a63"
                           x3="0.04134"
                           xFract="0.00431615"
                           y3="5.82344"
                           yFract="0.36842758"
                           z3="17.54188"
                           zFract="0.44961541"/>
                     <atom elementType="Mg"
                           id="a64"
                           x3="4.88971"
                           xFract="0.51051579"
                           y3="15.70896"
                           yFract="0.99384798"
                           z3="26.13599"
                           zFract="0.66989079"/>
                     <atom elementType="O"
                           id="a65"
                           x3="5.90597"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a62 a78" order="S"/>
                     <bond atomRefs2="a62 a75" order="S"/>
                     <bond atomRefs2="a62 a72" order="S"/>
                     <bond atomRefs2="a63 a152" order="S"/>
                     <bond atomRefs2="a63 a130" order="S"/>
                     <bond atomRefs2="a63 a111" order="S"/>
                     <bond atomRefs2="a64 a76" order="S"/>
                     <bond atomRefs2="a64 a143" order="S"/>
                     <bond atomRefs2="a64 a124" order="S"/>
                     <bond atomRefs2="a65 a214" order="S"/>
                     <bond atomRefs2="a66 a222" order="S"/>
                     <bond atomRefs2="a67 a214" order="S"/>
                     <bond atomRefs2="a68 a213" order="S"/>
                     <bond atomRefs2="a69 a212" order="S"/>
                     <bond atomRefs2="a70 a211" order="S"/>
                     <bond atomRefs2="a71 a210" order="S"/>
                     <bond atomRefs2="a72 a214" order="S"/>
                     <bond atomRefs2="a76 a213" order="S"/>
                     <bond atomRefs2="a77 a212" order="S"/>
                     <bond atomRefs2="a78 a198" order="S"/>
                     <bond atomRefs2="a79 a197" order="S"/>
                     <bond atomRefs2="a80 a216" order="S"/>
                     <bond atomRefs2="a81 a209" order="S"/>
                     <bond atomRefs2="a82 a215" order="S"/>
                     <bond atomRefs2="a83 a220" order="S"/>
                     <bond atomRefs2="a84 a217" order="S"/>
                     <bond atomRefs2="a85 a216" order="S"/>
                     <bond atomRefs2="a86 a213" order="S"/>
                     <bond atomRefs2="a87 a212" order="S"/>
                     <bond atomRefs2="a88 a215" order="S"/>
                     <bond atomRefs2="a89 a195" order="S"/>
                     <bond atomRefs2="a90 a212" order="S"/>
                     <bond atomRefs2="a91 a209" order="S"/>
                     <bond atomRefs2="a92 a211" order="S"/>
                     <bond atomRefs2="a93 a218" order="S"/>
                     <bond atomRefs2="a94 a209" order="S"/>
                     <bond atomRefs2="a95 a223" order="S"/>
                     <bond atomRefs2="a96 a211" order="S"/>
                     <bond atomRefs2="a97 a210" order="S"/>
                     <bond atomRefs2="a98 a223" order="S"/>
                     <bond atomRefs2="a99 a205" order="S"/>
                     <bond atomRefs2="a100 a223" order="S"/>
                     <bond atomRefs2="a101 a213" order="S"/>
                     <bond atomRefs2="a102 a194" order="S"/>
                     <bond atomRefs2="a103 a194" order="S"/>
                     <bond atomRefs2="a104 a224" order="S"/>
                     <bond atomRefs2="a105 a201" order="S"/>
                     <bond atomRefs2="a107 a193" order="S"/>
                     <bond atomRefs2="a108 a206" order="S"/>
                     <bond atomRefs2="a109 a203" order="S"/>
                     <bond atomRefs2="a110 a193" order="S"/>
                     <bond atomRefs2="a111 a203" order="S"/>
                     <bond atomRefs2="a112 a204" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a115 a201" order="S"/>
                     <bond atomRefs2="a116 a204" order="S"/>
                     <bond atomRefs2="a117 a210" order="S"/>
                     <bond atomRefs2="a118 a201" order="S"/>
                     <bond atomRefs2="a119 a205" order="S"/>
                     <bond atomRefs2="a120 a215" order="S"/>
                     <bond atomRefs2="a121 a223" order="S"/>
                     <bond atomRefs2="a122 a202" order="S"/>
                     <bond atomRefs2="a123 a199" order="S"/>
                     <bond atomRefs2="a124 a200" order="S"/>
                     <bond atomRefs2="a125 a203" order="S"/>
                     <bond atomRefs2="a126 a193" order="S"/>
                     <bond atomRefs2="a127 a204" order="S"/>
                     <bond atomRefs2="a129 a201" order="S"/>
                     <bond atomRefs2="a130 a206" order="S"/>
                     <bond atomRefs2="a131 a221" order="S"/>
                     <bond atomRefs2="a132 a222" order="S"/>
                     <bond atomRefs2="a133 a204" order="S"/>
                     <bond atomRefs2="a135 a193" order="S"/>
                     <bond atomRefs2="a136 a206" order="S"/>
                     <bond atomRefs2="a137 a220" order="S"/>
                     <bond atomRefs2="a138 a198" order="S"/>
                     <bond atomRefs2="a139 a197" order="S"/>
                     <bond atomRefs2="a140 a206" order="S"/>
                     <bond atomRefs2="a141 a199" order="S"/>
                     <bond atomRefs2="a142 a202" order="S"/>
                     <bond atomRefs2="a143 a200" order="S"/>
                     <bond atomRefs2="a144 a224" order="S"/>
                     <bond atomRefs2="a145 a207" order="S"/>
                     <bond atomRefs2="a146 a200" order="S"/>
                     <bond atomRefs2="a147 a199" order="S"/>
                     <bond atomRefs2="a148 a208" order="S"/>
                     <bond atomRefs2="a149 a195" order="S"/>
                     <bond atomRefs2="a150 a198" order="S"/>
                     <bond atomRefs2="a152 a203" order="S"/>
                     <bond atomRefs2="a153 a215" order="S"/>
                     <bond atomRefs2="a154 a214" order="S"/>
                     <bond atomRefs2="a155 a200" order="S"/>
                     <bond atomRefs2="a156 a199" order="S"/>
                     <bond atomRefs2="a159 a196" order="S"/>
                     <bond atomRefs2="a160 a195" order="S"/>
                     <bond atomRefs2="a161 a197" order="S"/>
                     <bond atomRefs2="a162 a197" order="S"/>
                     <bond atomRefs2="a163 a196" order="S"/>
                     <bond atomRefs2="a164 a207" order="S"/>
                     <bond atomRefs2="a165 a198" order="S"/>
                     <bond atomRefs2="a168 a217" order="S"/>
                     <bond atomRefs2="a169 a218" order="S"/>
                     <bond atomRefs2="a170 a219" order="S"/>
                     <bond atomRefs2="a171 a208" order="S"/>
                     <bond atomRefs2="a172 a220" order="S"/>
                     <bond atomRefs2="a173 a221" order="S"/>
                     <bond atomRefs2="a174 a221" order="S"/>
                     <bond atomRefs2="a175 a222" order="S"/>
                     <bond atomRefs2="a176 a208" order="S"/>
                     <bond atomRefs2="a178 a219" order="S"/>
                     <bond atomRefs2="a179 a205" order="S"/>
                     <bond atomRefs2="a180 a202" order="S"/>
                     <bond atomRefs2="a181 a195" order="S"/>
                     <bond atomRefs2="a182 a196" order="S"/>
                     <bond atomRefs2="a183 a207" order="S"/>
                     <bond atomRefs2="a184 a220" order="S"/>
                     <bond atomRefs2="a185 a208" order="S"/>
                     <bond atomRefs2="a186 a222" order="S"/>
                     <bond atomRefs2="a188 a217" order="S"/>
                     <bond atomRefs2="a189 a216" order="S"/>
                     <bond atomRefs2="a190 a219" order="S"/>
                     <bond atomRefs2="a191 a217" order="S"/>
                     <bond atomRefs2="a192 a216" order="S"/>
                     <bond atomRefs2="a225 a226" order="S"/>
                     <bond atomRefs2="a226 a230" order="S"/>
                     <bond atomRefs2="a226 a227" order="S"/>
                     <bond atomRefs2="a226 a228" order="S"/>
                     <bond atomRefs2="a229 a230" order="S"/>
                  </bondArray>
                  <formula concise="C2H2Mg64O130Si32">
                     <atomArray count="2 2 64 130 32" elementType="C H Mg O Si"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4558.199400000016</scalar>
                  </property>
               </molecule>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-1575.61988571</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-1575.61988520</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-1575.61988546</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-0.5294</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2426265E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">9.57798</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">15.8062</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">39.0153</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Mg"
                        id="a1"
                        x3="0.05961"
                        xFract="0.00622365"
                        y3="15.72744"
                        yFract="0.99501715"
                        z3="26.14761"
                        zFract="0.67018862"/>
                  <atom elementType="Mg"
                        id="a2"
                        x3="0.11186"
                        xFract="0.01167887"
                        y3="10.31771"
                        yFract="0.65276347"
                        z3="27.46853"
                        zFract="0.70404508"/>
                  <atom elementType="Mg"
                        id="a3"
                        x3="2.48794"
                        xFract="0.25975623"
                        y3="6.15765"
                        yFract="0.38957181"
                        z3="20.28151"
                        zFract="0.51983478"/>
                  <atom elementType="Mg"
                        id="a4"
                        x3="2.55057"
                        xFract="0.26629519"
                        y3="1.77447"
                        yFract="0.11226417"
                        z3="24.30679"
                        zFract="0.62300662"/>
                  <atom elementType="Mg"
                        id="a5"
                        x3="0.14428"
                        xFract="0.01506372"
                        y3="4.20515"
                        yFract="0.26604434"
                        z3="22.85437"
                        zFract="0.58577968"/>
                  <atom elementType="Mg"
                        id="a6"
                        x3="0.08847"
                        xFract="0.00923681"
                        y3="8.78767"
                        yFract="0.55596348"
                        z3="18.79143"
                        zFract="0.48164259"/>
                  <atom elementType="Mg"
                        id="a7"
                        x3="2.42729"
                        xFract="0.253424"
                        y3="0.96756"
                        yFract="0.06121395"
                        z3="18.79123"
                        zFract="0.48163746"/>
                  <atom elementType="Mg"
                        id="a8"
                        x3="2.42953"
                        xFract="0.25365787"
                        y3="12.16149"
                        yFract="0.76941264"
                        z3="22.70288"
                        zFract="0.58189685"/>
                  <atom elementType="Mg"
                        id="a9"
                        x3="4.78355"
                        xFract="0.49943203"
                        y3="9.56823"
                        yFract="0.60534664"
                        z3="24.08547"
                        zFract="0.61733397"/>
                  <atom elementType="Mg"
                        id="a10"
                        x3="4.81912"
                        xFract="0.50314576"
                        y3="14.14207"
                        yFract="0.89471663"
                        z3="20.27743"
                        zFract="0.51973021"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="2.4349"
                        xFract="0.25421853"
                        y3="6.75259"
                        yFract="0.42721147"
                        z3="23.41794"
                        zFract="0.60022453"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.45523"
                        xFract="0.25634111"
                        y3="11.46566"
                        yFract="0.72539004"
                        z3="19.53342"
                        zFract="0.50066051"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="0.06368"
                        xFract="0.00664858"
                        y3="3.5646"
                        yFract="0.2255191"
                        z3="19.53713"
                        zFract="0.5007556"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="0.07059"
                        xFract="0.00737003"
                        y3="14.74269"
                        yFract="0.93271564"
                        z3="23.36462"
                        zFract="0.59885788"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.40657"
                        xFract="0.2512607"
                        y3="7.59675"
                        yFract="0.48061836"
                        z3="26.30315"
                        zFract="0.67417526"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.70721"
                        xFract="0.28264937"
                        y3="4.46532"
                        yFract="0.28250433"
                        z3="25.87725"
                        zFract="0.66325903"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.08347"
                        xFract="0.00871478"
                        y3="1.30523"
                        yFract="0.08257709"
                        z3="21.53416"
                        zFract="0.55194142"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.04295"
                        xFract="0.00448424"
                        y3="12.62433"
                        yFract="0.79869482"
                        z3="25.66016"
                        zFract="0.6576948"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="2.52099"
                        xFract="0.26320686"
                        y3="15.31663"
                        yFract="0.96902671"
                        z3="12.74421"
                        zFract="0.32664647"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.45221"
                        xFract="0.2560258"
                        y3="10.74856"
                        yFract="0.68002176"
                        z3="16.37048"
                        zFract="0.41959129"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="0.11137"
                        xFract="0.01162771"
                        y3="13.37574"
                        yFract="0.84623376"
                        z3="15.01969"
                        zFract="0.38496923"/>
                  <atom elementType="Mg"
                        id="a22"
                        x3="2.36217"
                        xFract="0.24662507"
                        y3="5.35413"
                        yFract="0.33873607"
                        z3="14.77005"
                        zFract="0.37857071"/>
                  <atom elementType="Mg"
                        id="a23"
                        x3="4.77037"
                        xFract="0.49805596"
                        y3="2.92574"
                        yFract="0.18510078"
                        z3="16.22399"
                        zFract="0.41583661"/>
                  <atom elementType="Mg"
                        id="a24"
                        x3="0.05427"
                        xFract="0.00566612"
                        y3="7.21373"
                        yFract="0.4563861"
                        z3="12.90926"
                        zFract="0.33087686"/>
                  <atom elementType="Mg"
                        id="a25"
                        x3="2.47917"
                        xFract="0.25884059"
                        y3="0.36746"
                        yFract="0.02324784"
                        z3="15.64924"
                        zFract="0.40110521"/>
                  <atom elementType="Mg"
                        id="a26"
                        x3="0.06125"
                        xFract="0.00639488"
                        y3="12.5919"
                        yFract="0.79664309"
                        z3="11.53757"
                        zFract="0.29571912"/>
                  <atom elementType="Mg"
                        id="a27"
                        x3="0.04865"
                        xFract="0.00507936"
                        y3="8.18517"
                        yFract="0.51784553"
                        z3="15.69725"
                        zFract="0.40233575"/>
                  <atom elementType="Mg"
                        id="a28"
                        x3="2.4564"
                        xFract="0.25646326"
                        y3="13.78774"
                        yFract="0.87229948"
                        z3="17.59543"
                        zFract="0.45098795"/>
                  <atom elementType="Mg"
                        id="a29"
                        x3="2.20728"
                        xFract="0.2304536"
                        y3="2.64785"
                        yFract="0.16751971"
                        z3="13.19684"
                        zFract="0.33824782"/>
                  <atom elementType="Mg"
                        id="a30"
                        x3="2.4553"
                        xFract="0.25634842"
                        y3="9.14125"
                        yFract="0.57833319"
                        z3="21.47262"
                        zFract="0.55036409"/>
                  <atom elementType="Mg"
                        id="a31"
                        x3="0.07674"
                        xFract="0.00801213"
                        y3="10.29458"
                        yFract="0.65130012"
                        z3="13.38355"
                        zFract="0.34303337"/>
                  <atom elementType="Mg"
                        id="a32"
                        x3="7.15529"
                        xFract="0.74705627"
                        y3="7.64021"
                        yFract="0.48336792"
                        z3="26.31297"
                        zFract="0.67442696"/>
                  <atom elementType="Mg"
                        id="a33"
                        x3="4.86576"
                        xFract="0.50801526"
                        y3="10.29466"
                        yFract="0.65130518"
                        z3="13.38345"
                        zFract="0.34303081"/>
                  <atom elementType="Mg"
                        id="a34"
                        x3="4.79202"
                        xFract="0.50031635"
                        y3="10.4163"
                        yFract="0.6590009"
                        z3="27.57395"
                        zFract="0.7067471"/>
                  <atom elementType="Mg"
                        id="a35"
                        x3="7.2713"
                        xFract="0.75916843"
                        y3="6.16192"
                        yFract="0.38984196"
                        z3="20.28224"
                        zFract="0.51985349"/>
                  <atom elementType="Mg"
                        id="a36"
                        x3="7.34567"
                        xFract="0.76693311"
                        y3="1.78055"
                        yFract="0.11264883"
                        z3="24.29839"
                        zFract="0.62279132"/>
                  <atom elementType="Mg"
                        id="a37"
                        x3="4.93539"
                        xFract="0.51528506"
                        y3="4.19715"
                        yFract="0.26553821"
                        z3="22.8410"
                        zFract="0.585437"/>
                  <atom elementType="Mg"
                        id="a38"
                        x3="4.87878"
                        xFract="0.50937463"
                        y3="8.78781"
                        yFract="0.55597234"
                        z3="18.79433"
                        zFract="0.48171692"/>
                  <atom elementType="Mg"
                        id="a39"
                        x3="7.21762"
                        xFract="0.7535639"
                        y3="0.96783"
                        yFract="0.06123104"
                        z3="18.7915"
                        zFract="0.48164438"/>
                  <atom elementType="Mg"
                        id="a40"
                        x3="7.23282"
                        xFract="0.75515088"
                        y3="12.1618"
                        yFract="0.76943225"
                        z3="22.71522"
                        zFract="0.58221313"/>
                  <atom elementType="Mg"
                        id="a41"
                        x3="0.00601"
                        xFract="0.00062748"
                        y3="9.55284"
                        yFract="0.60437297"
                        z3="24.0379"
                        zFract="0.6161147"/>
                  <atom elementType="Mg"
                        id="a42"
                        x3="0.02991"
                        xFract="0.00312279"
                        y3="14.1448"
                        yFract="0.89488935"
                        z3="20.27629"
                        zFract="0.51970099"/>
                  <atom elementType="Mg"
                        id="a43"
                        x3="7.2201"
                        xFract="0.75382283"
                        y3="6.76262"
                        yFract="0.42784604"
                        z3="23.41856"
                        zFract="0.60024042"/>
                  <atom elementType="Mg"
                        id="a44"
                        x3="7.24046"
                        xFract="0.75594854"
                        y3="11.46752"
                        yFract="0.72550771"
                        z3="19.53524"
                        zFract="0.50070716"/>
                  <atom elementType="Mg"
                        id="a45"
                        x3="4.85034"
                        xFract="0.50640532"
                        y3="3.5645"
                        yFract="0.22551277"
                        z3="19.53496"
                        zFract="0.50069998"/>
                  <atom elementType="Mg"
                        id="a46"
                        x3="4.86048"
                        xFract="0.507464"
                        y3="14.75694"
                        yFract="0.93361719"
                        z3="23.35845"
                        zFract="0.59869974"/>
                  <atom elementType="Mg"
                        id="a47"
                        x3="4.8305"
                        xFract="0.5043339"
                        y3="5.82352"
                        yFract="0.36843264"
                        z3="17.54035"
                        zFract="0.44957619"/>
                  <atom elementType="Mg"
                        id="a48"
                        x3="7.4869"
                        xFract="0.78167839"
                        y3="4.49147"
                        yFract="0.28415875"
                        z3="25.87357"
                        zFract="0.66316471"/>
                  <atom elementType="Mg"
                        id="a49"
                        x3="4.87488"
                        xFract="0.50896744"
                        y3="1.30491"
                        yFract="0.08255684"
                        z3="21.52515"
                        zFract="0.55171048"/>
                  <atom elementType="Mg"
                        id="a50"
                        x3="4.87389"
                        xFract="0.50886408"
                        y3="12.58754"
                        yFract="0.79636725"
                        z3="25.55808"
                        zFract="0.65507839"/>
                  <atom elementType="Mg"
                        id="a51"
                        x3="7.31025"
                        xFract="0.76323505"
                        y3="15.31666"
                        yFract="0.96902861"
                        z3="12.74393"
                        zFract="0.32663929"/>
                  <atom elementType="Mg"
                        id="a52"
                        x3="7.24151"
                        xFract="0.75605817"
                        y3="10.74843"
                        yFract="0.68001354"
                        z3="16.37116"
                        zFract="0.41960872"/>
                  <atom elementType="Mg"
                        id="a53"
                        x3="4.90018"
                        xFract="0.51160892"
                        y3="13.37554"
                        yFract="0.8462211"
                        z3="15.01959"
                        zFract="0.38496667"/>
                  <atom elementType="Mg"
                        id="a54"
                        x3="7.15135"
                        xFract="0.74664491"
                        y3="5.35404"
                        yFract="0.33873037"
                        z3="14.77032"
                        zFract="0.37857763"/>
                  <atom elementType="Mg"
                        id="a55"
                        x3="9.55902"
                        xFract="0.99802046"
                        y3="2.92626"
                        yFract="0.18513368"
                        z3="16.22422"
                        zFract="0.4158425"/>
                  <atom elementType="Mg"
                        id="a56"
                        x3="4.84309"
                        xFract="0.50564837"
                        y3="7.21363"
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   </module>
</module>
