<?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">
         <dummy/>
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">6.4.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">20Jul23 (build May 01 2024 18:10:19) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2025-04-07T13:46:21.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">24.445825</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">24.445824562619787</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.44582452493818</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">7.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">7.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">7.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ag"
                        id="a1"
                        x3="-1.07598314"
                        xFract="0.336046"
                        y3="-0.1292399"
                        yFract="0.336046"
                        z3="17.58170752"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="-2.56646114"
                        xFract="0.336046"
                        y3="-0.1292399"
                        yFract="0.836046"
                        z3="29.71340402"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="-1.07598314"
                        xFract="0.836046"
                        y3="-0.1292399"
                        yFract="0.336046"
                        z3="29.80462002"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="-2.56646114"
                        xFract="0.836046"
                        y3="-0.1292399"
                        yFract="0.836046"
                        z3="41.93631652"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="-1.67161316"
                        xFract="0.486045"
                        y3="-0.3877197"
                        yFract="0.486045"
                        z3="27.31438081"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="-3.16209116"
                        xFract="0.486045"
                        y3="-0.3877197"
                        yFract="0.986045"
                        z3="39.44607731"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="-1.67161316"
                        xFract="0.986045"
                        y3="-0.3877197"
                        yFract="0.486045"
                        z3="39.53729331"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="-3.16209116"
                        xFract="0.986045"
                        y3="-0.3877197"
                        yFract="0.986045"
                        z3="51.66898981"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="-0.76822998"
                        xFract="0.133797"
                        y3="-0.64300179"
                        yFract="0.133797"
                        z3="12.55297876"
                        zFract="0.24876288"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="-2.25870798"
                        xFract="0.133797"
                        y3="-0.64300179"
                        yFract="0.633797"
                        z3="24.68467526"
                        zFract="0.24876288"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="-0.76822998"
                        xFract="0.633797"
                        y3="-0.64300179"
                        yFract="0.133797"
                        z3="24.77589126"
                        zFract="0.24876288"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="-2.25870798"
                        xFract="0.633797"
                        y3="-0.64300179"
                        yFract="0.633797"
                        z3="36.90758776"
                        zFract="0.24876288"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="-1.36237146"
                        xFract="0.28409955"
                        y3="-0.89731534"
                        yFract="0.28409955"
                        z3="22.26132927"
                        zFract="0.34715105"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="-2.85284946"
                        xFract="0.28409955"
                        y3="-0.89731534"
                        yFract="0.78409955"
                        z3="34.39302577"
                        zFract="0.34715105"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="-1.36237146"
                        xFract="0.78409955"
                        y3="-0.89731534"
                        yFract="0.28409955"
                        z3="34.48424177"
                        zFract="0.34715105"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="-2.85284946"
                        xFract="0.78409955"
                        y3="-0.89731534"
                        yFract="0.78409955"
                        z3="46.61593827"
                        zFract="0.34715105"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-1.91544246"
                        xFract="0.44097974"
                        y3="-1.04600481"
                        yFract="0.44097974"
                        z3="31.29858262"
                        zFract="0.40467565"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-3.40592046"
                        xFract="0.44097974"
                        y3="-1.04600481"
                        yFract="0.94097974"
                        z3="43.43027912"
                        zFract="0.40467565"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-1.91544246"
                        xFract="0.94097974"
                        y3="-1.04600481"
                        yFract="0.44097974"
                        z3="43.52149512"
                        zFract="0.40467565"/>
                  <atom elementType="O"
                        id="a20"
                        x3="-3.40592046"
                        xFract="0.94097974"
                        y3="-1.04600481"
                        yFract="0.94097974"
                        z3="55.65319162"
                        zFract="0.40467565"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a17" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
               </bondArray>
               <formula concise="O4Ag16">
                  <atomArray count="4 16" elementType="O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1789.8887999999993</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1000</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">200.4000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.20</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">BF</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">17</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="2">PAW_PBE Ag 06Sep2000|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Ag O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">107.868 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">16 4</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="16">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="2112">-26.0159 -25.5298 -25.5295 -25.5295 -14.5848 -13.8532 -13.8506 -13.8506 -13.8496 -13.7663 -13.7375 -13.7375 -13.7374 -13.6919 -13.6919 -13.6904 -13.5885 -13.5613 -13.5613 -13.5611 -13.3610 -13.3592 -13.3592 -13.2418 -13.2418 -13.2404 -12.7729 -12.7713 -12.7713 -12.7118 -12.7092 -12.6694 -12.6694 -12.6627 -12.6396 -12.6327 -12.6327 -12.5899 -12.5681 -12.5664 -12.5074 -12.5015 -12.3186 -12.3171 -12.3014 -12.3014 -12.2972 -12.2500 -12.2355 -12.2327 -12.2327 -11.7634 -11.7429 -11.7293 -11.7293 -11.7286 -11.6421 -11.6421 -11.6407 -11.6150 -11.6101 -11.5782 -11.5782 -11.5762 -11.4494 -11.4478 -11.2590 -11.2580 -11.2580 -11.1948 -11.1857 -11.1358 -11.1335 -11.1335 -11.1033 -11.0985 -11.0985 -11.0303 -11.0303 -11.0276 -10.8938 -10.8938 -10.8938 -10.8649 -10.8316 -10.8316 -10.8315 -10.4608 -10.4608 -10.4590 -9.7447 -9.6735 -9.6718 -9.6718 -9.0369 -9.0340 -9.0340 -8.8539 -8.8498 -7.7429 -7.5336 -7.5336 -7.5169 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-11.4268 -11.4216 -11.3575 -11.3547 -11.3451 -11.3368 -11.2840 -11.2827 -11.2643 -11.2243 -11.1713 -11.1458 -11.1120 -11.1118 -11.0496 -11.0286 -11.0274 -10.9725 -10.4603 -10.4052 -10.4052 -10.3387 -9.7657 -9.6406 -9.6397 -9.4422 -9.0511 -9.0485 -8.9525 -8.8632 -8.8516 -8.5681 -8.0972 -8.0971 -6.9657 -6.9534 -6.9484 -6.6781 -5.2284 -5.2198 -4.2390 -4.1555 -4.1455 -3.7082 -3.1577 -3.1509 -3.0355 -2.7006 -2.4368 -2.2965 -2.2724 -1.7316 -1.6986 -1.0412 -1.0157 -1.0085 -0.9559 -0.7028 -0.2235 -0.0144 -0.0033 0.4553 0.5428 -25.8319 -25.7238 -25.5310 -25.5310 -13.7352 -13.6271 -13.5101 -13.4754 -13.4719 -13.4290 -13.4130 -13.3751 -13.3737 -13.3144 -13.2999 -13.2989 -13.2587 -13.1644 -13.1632 -13.1307 -13.1016 -13.0395 -13.0371 -13.0068 -12.9580 -12.9569 -12.8668 -12.8510 -12.8492 -12.8087 -12.7769 -12.7756 -12.7070 -12.6539 -12.6478 -12.5268 -12.5225 -12.5206 -12.5142 -12.4888 -12.4609 -12.4576 -12.3898 -12.3306 -12.2140 -12.2135 -12.2117 -12.2078 -12.1991 -12.1359 -12.1333 -12.1154 -12.0939 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                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.2">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19507"
                           xFract="0.13380057"
                           y3="0.6917"
                           yFract="0.13380156"
                           z3="6.17894"
                           zFract="0.24876647"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.67997"
                           xFract="0.13380104"
                           y3="3.2765"
                           yFract="0.63380195"
                           z3="6.36137"
                           zFract="0.24876638"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17603"
                           xFract="0.63380124"
                           y3="0.6917"
                           yFract="0.13380156"
                           z3="6.36137"
                           zFract="0.24876638"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66093"
                           xFract="0.63380172"
                           y3="3.2765"
                           yFract="0.63380195"
                           z3="6.5438"
                           zFract="0.24876628"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53751"
                           xFract="0.28410141"
                           y3="1.46869"
                           yFract="0.2841015"
                           z3="8.69299"
                           zFract="0.34712157"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.0224"
                           xFract="0.28410021"
                           y3="4.05349"
                           yFract="0.78410189"
                           z3="8.87542"
                           zFract="0.3471215"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51846"
                           xFract="0.78410041"
                           y3="1.46869"
                           yFract="0.2841015"
                           z3="8.87542"
                           zFract="0.34712151"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00336"
                           xFract="0.78410089"
                           y3="4.05349"
                           yFract="0.78410189"
                           z3="9.05785"
                           zFract="0.34712141"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93866"
                           xFract="0.44097556"
                           y3="2.27966"
                           yFract="0.4409745"
                           z3="10.21503"
                           zFract="0.40470052"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42356"
                           xFract="0.44097604"
                           y3="4.86446"
                           yFract="0.94097488"
                           z3="10.39746"
                           zFract="0.40470043"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91962"
                           xFract="0.94097623"
                           y3="2.27966"
                           yFract="0.4409745"
                           z3="10.39746"
                           zFract="0.40470043"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40451"
                           xFract="0.94097503"
                           y3="4.86446"
                           yFract="0.94097488"
                           z3="10.5799"
                           zFract="0.40470077"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19519"
                           xFract="0.13381395"
                           y3="0.69177"
                           yFract="0.1338151"
                           z3="6.1792"
                           zFract="0.24877671"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68009"
                           xFract="0.13381443"
                           y3="3.27657"
                           yFract="0.63381549"
                           z3="6.36164"
                           zFract="0.24877702"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17615"
                           xFract="0.63381462"
                           y3="0.69177"
                           yFract="0.1338151"
                           z3="6.36164"
                           zFract="0.24877702"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66105"
                           xFract="0.6338151"
                           y3="3.27657"
                           yFract="0.63381549"
                           z3="6.54407"
                           zFract="0.24877693"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53755"
                           xFract="0.2841062"
                           y3="1.46871"
                           yFract="0.28410537"
                           z3="8.69082"
                           zFract="0.34703268"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02245"
                           xFract="0.28410667"
                           y3="4.05351"
                           yFract="0.78410576"
                           z3="8.87325"
                           zFract="0.34703258"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51851"
                           xFract="0.78410687"
                           y3="1.46871"
                           yFract="0.28410537"
                           z3="8.87325"
                           zFract="0.34703258"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.0034"
                           xFract="0.78410567"
                           y3="4.05351"
                           yFract="0.78410576"
                           z3="9.05568"
                           zFract="0.34703251"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93855"
                           xFract="0.44096289"
                           y3="2.2796"
                           yFract="0.44096289"
                           z3="10.21686"
                           zFract="0.40477575"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42344"
                           xFract="0.44096169"
                           y3="4.8644"
                           yFract="0.94096328"
                           z3="10.39929"
                           zFract="0.40477568"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.9195"
                           xFract="0.94096188"
                           y3="2.2796"
                           yFract="0.44096289"
                           z3="10.39929"
                           zFract="0.40477568"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.4044"
                           xFract="0.94096236"
                           y3="4.8644"
                           yFract="0.94096328"
                           z3="10.58172"
                           zFract="0.40477558"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19543"
                           xFract="0.13384071"
                           y3="0.69191"
                           yFract="0.13384218"
                           z3="6.17973"
                           zFract="0.24879758"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68033"
                           xFract="0.13384216"
                           y3="3.2767"
                           yFract="0.63384063"
                           z3="6.36217"
                           zFract="0.24879791"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17639"
                           xFract="0.63384139"
                           y3="0.69191"
                           yFract="0.13384218"
                           z3="6.36217"
                           zFract="0.2487979"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66128"
                           xFract="0.63384115"
                           y3="3.2767"
                           yFract="0.63384063"
                           z3="6.5446"
                           zFract="0.24879784"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53764"
                           xFract="0.28411551"
                           y3="1.46877"
                           yFract="0.28411698"
                           z3="8.68648"
                           zFract="0.34685483"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02254"
                           xFract="0.28411695"
                           y3="4.05356"
                           yFract="0.78411543"
                           z3="8.86891"
                           zFract="0.34685475"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5186"
                           xFract="0.78411618"
                           y3="1.46877"
                           yFract="0.28411698"
                           z3="8.86891"
                           zFract="0.34685474"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00349"
                           xFract="0.78411595"
                           y3="4.05356"
                           yFract="0.78411543"
                           z3="9.05134"
                           zFract="0.34685468"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93831"
                           xFract="0.44093612"
                           y3="2.27946"
                           yFract="0.44093581"
                           z3="10.2205"
                           zFract="0.40492545"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42321"
                           xFract="0.4409366"
                           y3="4.86426"
                           yFract="0.9409362"
                           z3="10.40293"
                           zFract="0.40492535"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91927"
                           xFract="0.94093679"
                           y3="2.27946"
                           yFract="0.44093581"
                           z3="10.40293"
                           zFract="0.40492536"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40416"
                           xFract="0.94093559"
                           y3="4.86426"
                           yFract="0.9409362"
                           z3="10.58537"
                           zFract="0.4049257"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19543"
                           xFract="0.13384168"
                           y3="0.6919"
                           yFract="0.13384025"
                           z3="6.17972"
                           zFract="0.24879719"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68032"
                           xFract="0.13384048"
                           y3="3.2767"
                           yFract="0.63384063"
                           z3="6.36215"
                           zFract="0.24879712"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17638"
                           xFract="0.63384067"
                           y3="0.6919"
                           yFract="0.13384025"
                           z3="6.36215"
                           zFract="0.24879712"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66128"
                           xFract="0.63384115"
                           y3="3.2767"
                           yFract="0.63384063"
                           z3="6.54459"
                           zFract="0.24879743"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53764"
                           xFract="0.28411647"
                           y3="1.46876"
                           yFract="0.28411504"
                           z3="8.68658"
                           zFract="0.34685893"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02254"
                           xFract="0.28411695"
                           y3="4.05356"
                           yFract="0.78411543"
                           z3="8.86901"
                           zFract="0.34685884"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5186"
                           xFract="0.78411714"
                           y3="1.46876"
                           yFract="0.28411504"
                           z3="8.86901"
                           zFract="0.34685884"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00349"
                           xFract="0.78411595"
                           y3="4.05356"
                           yFract="0.78411543"
                           z3="9.05144"
                           zFract="0.34685877"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93832"
                           xFract="0.44093684"
                           y3="2.27947"
                           yFract="0.44093774"
                           z3="10.22042"
                           zFract="0.40492214"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42321"
                           xFract="0.4409366"
                           y3="4.86426"
                           yFract="0.9409362"
                           z3="10.40285"
                           zFract="0.40492208"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91927"
                           xFract="0.94093583"
                           y3="2.27947"
                           yFract="0.44093774"
                           z3="10.40285"
                           zFract="0.40492207"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40417"
                           xFract="0.94093727"
                           y3="4.86426"
                           yFract="0.9409362"
                           z3="10.58528"
                           zFract="0.40492199"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19556"
                           xFract="0.13385577"
                           y3="0.69198"
                           yFract="0.13385572"
                           z3="6.17933"
                           zFract="0.24878079"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68045"
                           xFract="0.13385458"
                           y3="3.27678"
                           yFract="0.63385611"
                           z3="6.36176"
                           zFract="0.24878072"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17651"
                           xFract="0.63385477"
                           y3="0.69198"
                           yFract="0.13385572"
                           z3="6.36176"
                           zFract="0.24878073"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66141"
                           xFract="0.63385525"
                           y3="3.27678"
                           yFract="0.63385611"
                           z3="6.54419"
                           zFract="0.24878063"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53767"
                           xFract="0.28411958"
                           y3="1.46878"
                           yFract="0.28411891"
                           z3="8.68657"
                           zFract="0.34685842"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02257"
                           xFract="0.28412006"
                           y3="4.05358"
                           yFract="0.7841193"
                           z3="8.8690"
                           zFract="0.34685833"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51863"
                           xFract="0.78412025"
                           y3="1.46878"
                           yFract="0.28411891"
                           z3="8.8690"
                           zFract="0.34685833"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00352"
                           xFract="0.78411905"
                           y3="4.05358"
                           yFract="0.7841193"
                           z3="9.05143"
                           zFract="0.34685826"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93821"
                           xFract="0.44092513"
                           y3="2.2794"
                           yFract="0.4409242"
                           z3="10.22056"
                           zFract="0.40492824"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42311"
                           xFract="0.44092561"
                           y3="4.8642"
                           yFract="0.94092459"
                           z3="10.4030"
                           zFract="0.40492856"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91917"
                           xFract="0.9409258"
                           y3="2.2794"
                           yFract="0.4409242"
                           z3="10.4030"
                           zFract="0.40492856"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40406"
                           xFract="0.9409246"
                           y3="4.8642"
                           yFract="0.94092459"
                           z3="10.58543"
                           zFract="0.40492849"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19588"
                           xFract="0.13389114"
                           y3="0.69217"
                           yFract="0.13389247"
                           z3="6.17835"
                           zFract="0.24873963"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68078"
                           xFract="0.13389258"
                           y3="3.27696"
                           yFract="0.63389093"
                           z3="6.36078"
                           zFract="0.24873955"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17684"
                           xFract="0.63389181"
                           y3="0.69217"
                           yFract="0.13389247"
                           z3="6.36078"
                           zFract="0.24873954"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66173"
                           xFract="0.63389158"
                           y3="3.27696"
                           yFract="0.63389093"
                           z3="6.54322"
                           zFract="0.24873989"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53774"
                           xFract="0.28412747"
                           y3="1.46882"
                           yFract="0.28412665"
                           z3="8.68654"
                           zFract="0.34685696"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02264"
                           xFract="0.28412794"
                           y3="4.05362"
                           yFract="0.78412704"
                           z3="8.86897"
                           zFract="0.34685686"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5187"
                           xFract="0.78412814"
                           y3="1.46882"
                           yFract="0.28412665"
                           z3="8.86897"
                           zFract="0.34685687"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00359"
                           xFract="0.78412694"
                           y3="4.05362"
                           yFract="0.78412704"
                           z3="9.05141"
                           zFract="0.34685721"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93795"
                           xFract="0.44089597"
                           y3="2.27925"
                           yFract="0.44089519"
                           z3="10.22093"
                           zFract="0.40494425"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42285"
                           xFract="0.44089645"
                           y3="4.86405"
                           yFract="0.94089557"
                           z3="10.40336"
                           zFract="0.40494415"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91891"
                           xFract="0.94089664"
                           y3="2.27925"
                           yFract="0.44089519"
                           z3="10.40336"
                           zFract="0.40494415"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.4038"
                           xFract="0.94089545"
                           y3="4.86405"
                           yFract="0.94089557"
                           z3="10.58579"
                           zFract="0.40494408"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="20">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="20">0.004 0.004 0.004 0.004 -0.000 -0.000 -0.000 -0.000 0.003 0.003 0.003 0.003 -0.015 -0.015 -0.015 -0.015 0.010 0.010 0.010 0.010</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="20">0.003 0.003 0.003 0.003 0.001 0.001 0.001 0.001 0.003 0.003 0.003 0.003 -0.007 -0.007 -0.007 -0.007 0.744 0.744 0.744 0.744</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="20">0.001 0.001 0.001 0.001 0.003 0.003 0.003 0.003 0.000 0.000 0.000 0.000 0.186 0.186 0.186 0.186 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="20">0.008 0.008 0.008 0.008 0.004 0.004 0.004 0.004 0.006 0.006 0.006 0.006 0.164 0.164 0.164 0.164 0.753 0.753 0.753 0.753</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.008</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">2.976</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">0.762</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">3.746</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-31.35674536</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-31.34010908</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-31.35119993</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-7.9503</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1141784E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ag"
                        id="a1"
                        x3="3.00146"
                        xFract="0.33604563"
                        y3="1.73722"
                        yFract="0.3360456"
                        z3="1.46751"
                        zFract="0.04999987"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="4.48636"
                        xFract="0.33604611"
                        y3="4.32202"
                        yFract="0.83604599"
                        z3="1.64995"
                        zFract="0.05000019"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="5.98242"
                        xFract="0.8360463"
                        y3="1.73722"
                        yFract="0.3360456"
                        z3="1.64995"
                        zFract="0.05000019"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="7.46732"
                        xFract="0.83604678"
                        y3="4.32202"
                        yFract="0.83604599"
                        z3="1.83238"
                        zFract="0.05000009"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="4.34121"
                        xFract="0.48604463"
                        y3="2.51266"
                        yFract="0.48604572"
                        z3="4.02155"
                        zFract="0.14999981"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="5.82611"
                        xFract="0.48604607"
                        y3="5.09745"
                        yFract="0.98604417"
                        z3="4.20399"
                        zFract="0.15000014"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="7.32217"
                        xFract="0.9860453"
                        y3="2.51266"
                        yFract="0.48604572"
                        z3="4.20399"
                        zFract="0.15000013"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="8.80706"
                        xFract="0.98604507"
                        y3="5.09745"
                        yFract="0.98604417"
                        z3="4.38642"
                        zFract="0.15000008"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="1.19588"
                        xFract="0.13389114"
                        y3="0.69217"
                        yFract="0.13389247"
                        z3="6.17835"
                        zFract="0.24873963"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.68078"
                        xFract="0.13389258"
                        y3="3.27696"
                        yFract="0.63389093"
                        z3="6.36078"
                        zFract="0.24873955"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.17684"
                        xFract="0.63389181"
                        y3="0.69217"
                        yFract="0.13389247"
                        z3="6.36078"
                        zFract="0.24873954"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.66173"
                        xFract="0.63389158"
                        y3="3.27696"
                        yFract="0.63389093"
                        z3="6.54322"
                        zFract="0.24873989"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.53774"
                        xFract="0.28412747"
                        y3="1.46882"
                        yFract="0.28412665"
                        z3="8.68654"
                        zFract="0.34685696"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="4.02264"
                        xFract="0.28412794"
                        y3="4.05362"
                        yFract="0.78412704"
                        z3="8.86897"
                        zFract="0.34685686"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.5187"
                        xFract="0.78412814"
                        y3="1.46882"
                        yFract="0.28412665"
                        z3="8.86897"
                        zFract="0.34685687"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="7.00359"
                        xFract="0.78412694"
                        y3="4.05362"
                        yFract="0.78412704"
                        z3="9.05141"
                        zFract="0.34685721"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.93795"
                        xFract="0.44089597"
                        y3="2.27925"
                        yFract="0.44089519"
                        z3="10.22093"
                        zFract="0.40494425"/>
                  <atom elementType="O"
                        id="a18"
                        x3="5.42285"
                        xFract="0.44089645"
                        y3="4.86405"
                        yFract="0.94089557"
                        z3="10.40336"
                        zFract="0.40494415"/>
                  <atom elementType="O"
                        id="a19"
                        x3="6.91891"
                        xFract="0.94089664"
                        y3="2.27925"
                        yFract="0.44089519"
                        z3="10.40336"
                        zFract="0.40494415"/>
                  <atom elementType="O"
                        id="a20"
                        x3="8.4038"
                        xFract="0.94089545"
                        y3="4.86405"
                        yFract="0.94089557"
                        z3="10.58579"
                        zFract="0.40494408"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="O4Ag16">
                  <atomArray count="4 16" elementType="O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1789.8887999999993</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
