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                  <bond atomRefs2="a23 a29" order="S"/>
                  <bond atomRefs2="a24 a30" order="S"/>
                  <bond atomRefs2="a24 a38" order="S"/>
                  <bond atomRefs2="a24 a46" order="S"/>
                  <bond atomRefs2="a24 a37" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a27 a41" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a27 a33" order="S"/>
                  <bond atomRefs2="a27 a46" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a31 a45" order="S"/>
                  <bond atomRefs2="a31 a46" order="S"/>
                  <bond atomRefs2="a31 a37" order="S"/>
                  <bond atomRefs2="a32 a45" order="S"/>
                  <bond atomRefs2="a32 a41" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a33 a43" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a40" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a41" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a37 a40" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a39 a45" order="S"/>
                  <bond atomRefs2="a40 a46" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a41 a44" order="S"/>
                  <bond atomRefs2="a41 a48" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
                  <bond atomRefs2="a43 a46" order="S"/>
                  <bond atomRefs2="a45 a48" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a48" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
               </bondArray>
               <formula concise="Fe48S">
                  <atomArray count="48 1" elementType="Fe S"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2712.6249999999986</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</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">390.0000</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">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</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="2">PAW_PBE Fe 06Sep2000|PAW_PBE S 06Sep2000</array>
                  <array dictRef="cc:atomType" size="2">Fe S</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">55.85 32.07</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">8.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">48 1</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation"/>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList/>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.4863654646</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.0010221336</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Fe"
                        id="a1"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.00025553"
                        yFract="0.2500"
                        z3="2.00025553"
                        zFract="0.10001278"/>
                  <atom elementType="Fe"
                        id="a2"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Fe"
                        id="a3"
                        x3="1.41439424"
                        xFract="0.16666667"
                        y3="8.00102211"
                        yFract="1.0000"
                        z3="2.00025553"
                        zFract="0.10001278"/>
                  <atom elementType="Fe"
                        id="a4"
                        x3="1.41439424"
                        xFract="0.16666667"
                        y3="2.00025553"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Fe"
                        id="a5"
                        x3="-0.06279414"
                        xFract="-0.00739942"
                        y3="2.09035036"
                        yFract="0.26126041"
                        z3="5.99578811"
                        zFract="0.29978941"/>
                  <atom elementType="Fe"
                        id="a6"
                        x3="-0.00076274"
                        xFract="-0.00008988"
                        y3="0.00452931"
                        yFract="0.00056609"
                        z3="4.04619058"
                        zFract="0.20230953"/>
                  <atom elementType="Fe"
                        id="a7"
                        x3="1.47718839"
                        xFract="0.17406608"
                        y3="7.91092728"
                        yFract="0.98873958"
                        z3="5.99578811"
                        zFract="0.29978941"/>
                  <atom elementType="Fe"
                        id="a8"
                        x3="1.41515699"
                        xFract="0.16675655"
                        y3="1.99572622"
                        yFract="0.24943391"
                        z3="4.04619058"
                        zFract="0.20230953"/>
                  <atom elementType="Fe"
                        id="a9"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.0007666"
                        yFract="0.7500"
                        z3="2.00025553"
                        zFract="0.10001278"/>
                  <atom elementType="Fe"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.00051107"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Fe"
                        id="a11"
                        x3="1.41439424"
                        xFract="0.16666667"
                        y3="4.00051104"
                        yFract="0.5000"
                        z3="2.00025553"
                        zFract="0.10001278"/>
                  <atom elementType="Fe"
                        id="a12"
                        x3="1.41439424"
                        xFract="0.16666667"
                        y3="6.0007666"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Fe"
                        id="a13"
                        x3="0.0105157"
                        xFract="0.00123913"
                        y3="5.99453349"
                        yFract="0.74922096"
                        z3="6.05348188"
                        zFract="0.30267409"/>
                  <atom elementType="Fe"
                        id="a14"
                        x3="-0.00209334"
                        xFract="-0.00024667"
                        y3="4.01098339"
                        yFract="0.50130887"
                        z3="4.0323438"
                        zFract="0.20161719"/>
                  <atom elementType="Fe"
                        id="a15"
                        x3="1.40387854"
                        xFract="0.16542754"
                        y3="4.00674415"
                        yFract="0.50077904"
                        z3="6.05348188"
                        zFract="0.30267409"/>
                  <atom elementType="Fe"
                        id="a16"
                        x3="1.41648758"
                        xFract="0.16691334"
                        y3="5.99029428"
                        yFract="0.74869113"
                        z3="4.0323438"
                        zFract="0.20161719"/>
                  <atom elementType="Fe"
                        id="a17"
                        x3="2.82878849"
                        xFract="0.33333333"
                        y3="2.00025553"
                        yFract="0.2500"
                        z3="2.00025553"
                        zFract="0.10001278"/>
                  <atom elementType="Fe"
                        id="a18"
                        x3="2.82878849"
                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Fe"
                        id="a19"
                        x3="4.24318273"
                        xFract="0.5000"
                        y3="8.00102211"
                        yFract="1.0000"
                        z3="2.00025553"
                        zFract="0.10001278"/>
                  <atom elementType="Fe"
                        id="a20"
                        x3="4.24318273"
                        xFract="0.5000"
                        y3="2.00025553"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Fe"
                        id="a21"
                        x3="2.79555787"
                        xFract="0.32941757"
                        y3="1.96791384"
                        yFract="0.24595781"
                        z3="6.13050956"
                        zFract="0.30652548"/>
                  <atom elementType="Fe"
                        id="a22"
                        x3="2.83738344"
                        xFract="0.33434613"
                        y3="-0.00742183"
                        yFract="-0.00092761"
                        z3="4.02640146"
                        zFract="0.20132007"/>
                  <atom elementType="Fe"
                        id="a23"
                        x3="4.25376811"
                        xFract="0.50124734"
                        y3="7.99164666"
                        yFract="0.99882822"
                        z3="6.04270479"
                        zFract="0.30213524"/>
                  <atom elementType="Fe"
                        id="a24"
                        x3="4.22751193"
                        xFract="0.49815341"
                        y3="1.99599844"
                        yFract="0.24946793"
                        z3="4.05803394"
                        zFract="0.2029017"/>
                  <atom elementType="Fe"
                        id="a25"
                        x3="2.82878849"
                        xFract="0.33333333"
                        y3="6.0007666"
                        yFract="0.7500"
                        z3="2.00025553"
                        zFract="0.10001278"/>
                  <atom elementType="Fe"
                        id="a26"
                        x3="2.82878849"
                        xFract="0.33333333"
                        y3="4.00051107"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Fe"
                        id="a27"
                        x3="4.24318273"
                        xFract="0.5000"
                        y3="4.00051104"
                        yFract="0.5000"
                        z3="2.00025553"
                        zFract="0.10001278"/>
                  <atom elementType="Fe"
                        id="a28"
                        x3="4.24318273"
                        xFract="0.5000"
                        y3="6.0007666"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Fe"
                        id="a29"
                        x3="2.85967499"
                        xFract="0.33697288"
                        y3="5.97867676"
                        yFract="0.74723912"
                        z3="6.04191645"
                        zFract="0.30209582"/>
                  <atom elementType="Fe"
                        id="a30"
                        x3="2.82646456"
                        xFract="0.33305949"
                        y3="3.98994123"
                        yFract="0.49867894"
                        z3="4.04971779"
                        zFract="0.20248589"/>
                  <atom elementType="Fe"
                        id="a31"
                        x3="4.24471913"
                        xFract="0.50018104"
                        y3="3.98047391"
                        yFract="0.49749568"
                        z3="6.05007459"
                        zFract="0.30250373"/>
                  <atom elementType="Fe"
                        id="a32"
                        x3="4.2488395"
                        xFract="0.50066657"
                        y3="5.99912137"
                        yFract="0.74979437"
                        z3="4.0370295"
                        zFract="0.20185148"/>
                  <atom elementType="Fe"
                        id="a33"
                        x3="5.65757698"
                        xFract="0.66666667"
                        y3="2.00025553"
                        yFract="0.2500"
                        z3="2.00025553"
                        zFract="0.10001278"/>
                  <atom elementType="Fe"
                        id="a34"
                        x3="5.65757698"
                        xFract="0.66666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Fe"
                        id="a35"
                        x3="7.07197122"
                        xFract="0.83333333"
                        y3="8.00102211"
                        yFract="1.0000"
                        z3="2.00025553"
                        zFract="0.10001278"/>
                  <atom elementType="Fe"
                        id="a36"
                        x3="7.07197122"
                        xFract="0.83333333"
                        y3="2.00025553"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Fe"
                        id="a37"
                        x3="5.6469916"
                        xFract="0.66541933"
                        y3="2.00963098"
                        yFract="0.25117178"
                        z3="6.04270479"
                        zFract="0.30213524"/>
                  <atom elementType="Fe"
                        id="a38"
                        x3="5.67324778"
                        xFract="0.66851325"
                        y3="0.0042571"
                        yFract="0.00053207"
                        z3="4.05803394"
                        zFract="0.2029017"/>
                  <atom elementType="Fe"
                        id="a39"
                        x3="7.10520184"
                        xFract="0.8372491"
                        y3="0.03234166"
                        yFract="0.00404219"
                        z3="6.13050956"
                        zFract="0.30652548"/>
                  <atom elementType="Fe"
                        id="a40"
                        x3="7.06337627"
                        xFract="0.83232054"
                        y3="2.00767737"
                        yFract="0.25092761"
                        z3="4.02640146"
                        zFract="0.20132007"/>
                  <atom elementType="Fe"
                        id="a41"
                        x3="5.65757698"
                        xFract="0.66666667"
                        y3="6.0007666"
                        yFract="0.7500"
                        z3="2.00025553"
                        zFract="0.10001278"/>
                  <atom elementType="Fe"
                        id="a42"
                        x3="5.65757698"
                        xFract="0.66666667"
                        y3="4.00051107"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Fe"
                        id="a43"
                        x3="7.07197122"
                        xFract="0.83333333"
                        y3="4.00051104"
                        yFract="0.5000"
                        z3="2.00025553"
                        zFract="0.10001278"/>
                  <atom elementType="Fe"
                        id="a44"
                        x3="7.07197122"
                        xFract="0.83333333"
                        y3="6.0007666"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Fe"
                        id="a45"
                        x3="5.65604057"
                        xFract="0.66648562"
                        y3="6.02080373"
                        yFract="0.75250432"
                        z3="6.05007459"
                        zFract="0.30250373"/>
                  <atom elementType="Fe"
                        id="a46"
                        x3="5.6519202"
                        xFract="0.66600009"
                        y3="4.00215629"
                        yFract="0.50020563"
                        z3="4.0370295"
                        zFract="0.20185148"/>
                  <atom elementType="Fe"
                        id="a47"
                        x3="7.04108472"
                        xFract="0.82969379"
                        y3="4.02260088"
                        yFract="0.50276087"
                        z3="6.04191645"
                        zFract="0.30209582"/>
                  <atom elementType="Fe"
                        id="a48"
                        x3="7.07429515"
                        xFract="0.83360718"
                        y3="6.01133644"
                        yFract="0.75132106"
                        z3="4.04971779"
                        zFract="0.20248589"/>
                  <atom elementType="S"
                        id="a49"
                        x3="0.70719712"
                        xFract="0.08333333"
                        y3="1.00012776"
                        yFract="0.1250"
                        z3="7.67609541"
                        zFract="0.38380477"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a11" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a8" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a3 a9" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a49" order="S"/>
                  <bond atomRefs2="a5 a15" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a29" order="S"/>
                  <bond atomRefs2="a7 a13" order="S"/>
                  <bond atomRefs2="a8 a30" order="S"/>
                  <bond atomRefs2="a8 a21" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a22" order="S"/>
                  <bond atomRefs2="a8 a14" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a16" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a11 a26" order="S"/>
                  <bond atomRefs2="a11 a17" order="S"/>
                  <bond atomRefs2="a11 a30" order="S"/>
                  <bond atomRefs2="a12 a25" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a29" order="S"/>
                  <bond atomRefs2="a15 a30" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a16 a29" order="S"/>
                  <bond atomRefs2="a16 a25" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a17 a27" order="S"/>
                  <bond atomRefs2="a17 a24" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a41" order="S"/>
                  <bond atomRefs2="a19 a25" order="S"/>
                  <bond atomRefs2="a20 a42" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a20 a34" order="S"/>
                  <bond atomRefs2="a20 a26" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a23 a29" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a24 a37" order="S"/>
                  <bond atomRefs2="a24 a38" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a24 a46" order="S"/>
                  <bond atomRefs2="a24 a30" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a27 a33" order="S"/>
                  <bond atomRefs2="a27 a46" order="S"/>
                  <bond atomRefs2="a27 a41" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a37" order="S"/>
                  <bond atomRefs2="a31 a46" order="S"/>
                  <bond atomRefs2="a31 a45" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a45" order="S"/>
                  <bond atomRefs2="a32 a41" order="S"/>
                  <bond atomRefs2="a33 a40" order="S"/>
                  <bond atomRefs2="a33 a43" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a41" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a37 a40" order="S"/>
                  <bond atomRefs2="a37 a39" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a40 a46" order="S"/>
                  <bond atomRefs2="a41 a44" order="S"/>
                  <bond atomRefs2="a41 a48" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a46" order="S"/>
                  <bond atomRefs2="a45 a48" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a48" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
               </bondArray>
               <formula concise="Fe48S">
                  <atomArray count="48 1" elementType="Fe S"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2712.6249999999986</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
