<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-10-24T23:15:54.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <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="3.0014634"
                        xFract="0.336046"
                        y3="1.73722206"
                        yFract="0.336046"
                        z3="1.46751343"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="4.4863594"
                        xFract="0.336046"
                        y3="4.32202006"
                        yFract="0.836046"
                        z3="1.64994543"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="5.9824194"
                        xFract="0.836046"
                        y3="1.73722206"
                        yFract="0.336046"
                        z3="1.64994543"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="7.4673154"
                        xFract="0.836046"
                        y3="4.32202006"
                        yFract="0.836046"
                        z3="1.83237743"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="4.34121007"
                        xFract="0.486045"
                        y3="2.51265629"
                        yFract="0.486045"
                        z3="4.0215544"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="5.82610607"
                        xFract="0.486045"
                        y3="5.09745429"
                        yFract="0.986045"
                        z3="4.2039864"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="7.32216607"
                        xFract="0.986045"
                        y3="2.51265629"
                        yFract="0.486045"
                        z3="4.2039864"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="8.80706207"
                        xFract="0.986045"
                        y3="5.09745429"
                        yFract="0.986045"
                        z3="4.3864184"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="1.23452544"
                        xFract="0.14155392"
                        y3="0.67991638"
                        yFract="0.13152215"
                        z3="6.19435529"
                        zFract="0.24931536"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.71942144"
                        xFract="0.14155392"
                        y3="3.26471438"
                        yFract="0.63152215"
                        z3="6.37678729"
                        zFract="0.24931536"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.21548144"
                        xFract="0.64155392"
                        y3="0.67991638"
                        yFract="0.13152215"
                        z3="6.37678729"
                        zFract="0.24931536"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.70037744"
                        xFract="0.64155392"
                        y3="3.26471438"
                        yFract="0.63152215"
                        z3="6.55921929"
                        zFract="0.24931536"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.50755053"
                        xFract="0.27564479"
                        y3="1.50430208"
                        yFract="0.29099026"
                        z3="8.69762705"
                        zFract="0.34733466"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="3.99244653"
                        xFract="0.27564479"
                        y3="4.08910008"
                        yFract="0.79099026"
                        z3="8.88005905"
                        zFract="0.34733466"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.48850653"
                        xFract="0.77564479"
                        y3="1.50430208"
                        yFract="0.29099026"
                        z3="8.88005905"
                        zFract="0.34733466"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="6.97340253"
                        xFract="0.77564479"
                        y3="4.08910008"
                        yFract="0.79099026"
                        z3="9.06249105"
                        zFract="0.34733466"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.34696562"
                        xFract="0.30882484"
                        y3="2.62114977"
                        yFract="0.50703184"
                        z3="10.49360009"
                        zFract="0.4170824"/>
                  <atom elementType="O"
                        id="a18"
                        x3="1.86206962"
                        xFract="0.30882484"
                        y3="0.03635177"
                        yFract="0.00703184"
                        z3="10.31116809"
                        zFract="0.4170824"/>
                  <atom elementType="O"
                        id="a19"
                        x3="6.32792162"
                        xFract="0.80882484"
                        y3="2.62114977"
                        yFract="0.50703184"
                        z3="10.67603209"
                        zFract="0.4170824"/>
                  <atom elementType="O"
                        id="a20"
                        x3="4.84302562"
                        xFract="0.80882484"
                        y3="0.03635177"
                        yFract="0.00703184"
                        z3="10.49360009"
                        zFract="0.4170824"/>
                  <atom elementType="H"
                        id="a21"
                        x3="1.07480709"
                        xFract="0.13655696"
                        y3="0.45374914"
                        yFract="0.08777265"
                        z3="10.70929037"
                        zFract="0.43473438"/>
                  <atom elementType="H"
                        id="a22"
                        x3="2.55970309"
                        xFract="0.13655696"
                        y3="3.03854714"
                        yFract="0.58777265"
                        z3="10.89172237"
                        zFract="0.43473438"/>
                  <atom elementType="H"
                        id="a23"
                        x3="4.05576309"
                        xFract="0.63655696"
                        y3="0.45374914"
                        yFract="0.08777265"
                        z3="10.89172237"
                        zFract="0.43473438"/>
                  <atom elementType="H"
                        id="a24"
                        x3="5.54065909"
                        xFract="0.63655696"
                        y3="3.03854714"
                        yFract="0.58777265"
                        z3="11.07415437"
                        zFract="0.43473438"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a19 a24" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
               </bondArray>
               <formula concise="H4O4Ag16">
                  <atomArray count="4 4 16" elementType="H O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1789.8887999999993</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/16Ag.2H2O.2HO/h;;;;;;;;;;;;;;;;2*1H2;2*1H/q;;;;;;;;;;;;;;2*+1;;;;/p-2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:1;2;3;4;5;6;7;8;9;10;11;12;14;16;13;15;18;20;17;19/CRV:;;;;;;;;;;;;;;;;;;2*1.1/rA:24AgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgO3OO3OHHHH/rB:s1;s1s2;s2s3;s1s2s3;s2s4s5;s3s4s5s6;s4s6s7;;s5s9;s5s9s10;s5s6s7s10s11;s9s10s11;s10s12s13;s11s12s13s14;s12s14s15;s13s14;s13;s15s16;s15;s18;s17;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.1E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">5</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.0200</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">204.0000</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: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="3">PAW_PBE Ag 06Sep2000|PAW_PBE O 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="3">Ag O H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">107.868 16.000 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">11.000 6.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">16 4 4</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Points file</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">7 7 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</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="25">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="4000">-20.7475 -20.2250 -20.1958 -20.1126 -8.6961 -8.6505 -8.0563 -8.0401 -7.9798 -7.8263 -7.8258 -7.8190 -7.8187 -7.7198 -7.7110 -7.7105 -7.7029 -7.7023 -7.6895 -7.6437 -7.4697 -7.4552 -7.4541 -7.2484 -7.1528 -7.1516 -6.9274 -6.8046 -6.7993 -6.6894 -6.6884 -6.6221 -6.6212 -6.6008 -6.5972 -6.5667 -6.5588 -6.5310 -6.4975 -6.4944 -6.4832 -6.4812 -6.3930 -6.3905 -6.3775 -6.2840 -6.1995 -6.1145 -6.0853 -6.0832 -6.0721 -5.9664 -5.9654 -5.9436 -5.8229 -5.7702 -5.7630 -5.6376 -5.6318 -5.5714 -5.5708 -5.5657 -5.4887 -5.4878 -5.4834 -5.4430 -5.4423 -5.4321 -5.3037 -5.2882 -5.2175 -5.1641 -5.1638 -5.1596 -5.1552 -5.1302 -5.1291 -5.0591 -5.0250 -5.0244 -4.9748 -4.9695 -4.9693 -4.9312 -4.9278 -4.9265 -4.9240 -4.5934 -4.5268 -4.5265 -4.5252 -3.8308 -3.8242 -3.4426 -3.3291 -3.1188 -3.1116 -2.5774 -2.1954 -2.0616 -1.5875 -1.5806 -1.5710 -0.9707 -0.9099 -0.9002 -0.4530 -0.4076 -0.3958 0.4030 1.0469 1.0511 1.3232 1.7347 1.8619 1.8732 2.2302 2.5841 2.6607 2.6736 3.2535 4.1412 4.1761 4.2438 4.2495 4.5857 5.0257 5.0315 5.1182 6.0871 6.2836 6.2928 6.4257 6.5380 6.6861 6.7076 6.7096 7.2486 7.2955 7.3332 8.0050 8.0118 8.0135 8.1776 8.2700 8.2830 8.5814 8.6374 8.6639 8.7510 8.9063 8.9083 8.9433 8.9931 9.3515 9.3567 9.4447 9.5185 9.5750 9.7433 -20.7189 -20.2269 -20.1963 -20.1454 -8.6115 -8.5281 -8.0124 -7.9972 -7.9006 -7.7850 -7.7585 -7.7490 -7.7486 -7.6897 -7.6698 -7.6696 -7.6401 -7.6383 -7.6377 -7.5541 -7.4324 -7.3818 -7.3807 -7.2073 -7.1263 -7.1256 -6.8986 -6.7947 -6.7913 -6.7269 -6.6660 -6.6641 -6.6066 -6.5897 -6.5881 -6.5656 -6.5414 -6.5369 -6.5195 -6.5122 -6.4248 -6.4143 -6.4123 -6.3993 -6.3348 -6.2924 -6.2097 -6.1330 -6.1313 -6.1029 -6.0466 -5.9861 -5.9848 -5.9629 -5.8750 -5.7985 -5.7873 -5.6643 -5.6322 -5.6281 -5.6234 -5.6213 -5.5532 -5.5527 -5.5295 -5.4591 -5.4582 -5.4317 -5.4099 -5.3096 -5.2638 -5.2626 -5.2214 -5.2142 -5.2051 -5.2035 -5.1984 -5.1205 -5.1103 -5.1092 -5.0537 -5.0525 -5.0453 -4.9852 -4.9827 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0.010927 -0.020068 0.005076 0.011235 -0.295610 0.149867 0.187676 -0.019125 0.003719 0.010282 0.009448 0.001926 -0.003734 0.007209 -0.001375 -0.004233 0.009220 0.000351 -0.004439 0.297528 -0.151131 -0.204700 -0.002030 -0.000024 0.029317 -0.002121 0.000010 0.029477 -0.002196 -0.000035 0.029309 -0.002104 0.000119 0.029319 0.011756 -0.010412 -0.026543 0.011860 -0.010235 -0.026527 0.011744 -0.010309 -0.026202 0.011651 -0.010243 -0.026436 0.000044 0.010826 -0.004105 0.000304 0.011320 -0.004053 -0.000340 0.011329 -0.003311 -0.000297 0.011329 -0.003867 -0.000352 -0.004754 -0.004446 -0.003722 -0.002189 -0.007785 0.003968 -0.012327 -0.011195 0.007875 -0.003689 -0.009586 -0.017479 0.004170 0.003640 -0.017942 0.003509 0.003365 0.268814 -0.147301 -0.164585 -0.018928 0.004804 0.004283 0.009125 -0.002579 -0.001217 0.011462 0.000864 -0.000706 0.009380 -0.000931 -0.000475 -0.290471 0.156747 0.192329</matrix>
               </module>
            </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="24">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="24">0.001 0.001 0.001 0.001 0.000 0.000 0.000 0.000 0.001 0.001 0.001 0.001 -0.003 -0.003 -0.003 -0.003 0.003 0.003 0.003 0.003 -0.003 -0.003 -0.003 -0.003</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="24">0.001 0.001 0.001 0.001 0.000 0.000 0.000 0.000 0.001 0.001 0.001 0.001 -0.002 -0.002 -0.002 -0.002 0.175 0.175 0.173 0.175 0.002 0.002 0.002 0.002</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="24">0.000 0.000 0.000 0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.042 0.042 0.041 0.041 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="24">0.002 0.002 0.002 0.002 0.001 0.001 0.001 0.001 0.002 0.002 0.002 0.002 0.037 0.037 0.037 0.037 0.177 0.178 0.176 0.177 -0.001 -0.001 -0.001 -0.001</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">-0.005</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">0.707</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">0.173</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">0.875</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="24">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24</array>
                     <array dataType="xsd:string" dictRef="v:freqtype" size="24">f f f f f f f f f f f f f f f f f f f f f f f f</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="24">3626.833450 3625.858640 3625.653520 3618.627193 837.774210 779.956365 778.852907 765.652610 594.154353 593.188990 452.511664 426.907739 303.728121 302.741999 295.783503 290.932386 259.566963 257.983157 225.621759 204.664660 203.070789 158.815856 153.349830 56.968039</array>
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                     <array dataType="xsd:double" dictRef="cc:coords" size="72">3.001463 1.737222 1.467513 4.486359 4.322020 1.649945 5.982419 1.737222 1.649945 7.467315 4.322020 1.832377 4.341210 2.512656 4.021554 5.826106 5.097454 4.203986 7.322166 2.512656 4.203986 8.807062 5.097454 4.386418 1.234525 0.679916 6.194355 2.719421 3.264714 6.376787 4.215481 0.679916 6.376787 5.700377 3.264714 6.559219 2.507551 1.504302 8.697627 3.992447 4.089100 8.880059 5.488507 1.504302 8.880059 6.973403 4.089100 9.062491 3.346966 2.621150 10.493600 1.862070 0.036352 10.311168 6.327922 2.621150 10.676032 4.843026 0.036352 10.493600 1.074807 0.453749 10.709290 2.559703 3.038547 10.891722 4.055763 0.453749 10.891722 5.540659 3.038547 11.074154</array>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-50.69773813</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-50.69076026</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-50.69541217</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.0368</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">-0.6719564E-02</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="1.23453"
                        xFract="0.14155434"
                        y3="0.67992"
                        yFract="0.13152285"
                        z3="6.19436"
                        zFract="0.24931554"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.71942"
                        xFract="0.1415541"
                        y3="3.26471"
                        yFract="0.6315213"
                        z3="6.37679"
                        zFract="0.24931548"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.21548"
                        xFract="0.64155333"
                        y3="0.67992"
                        yFract="0.13152285"
                        z3="6.37679"
                        zFract="0.24931547"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.70038"
                        xFract="0.64155477"
                        y3="3.26471"
                        yFract="0.6315213"
                        z3="6.55922"
                        zFract="0.24931539"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.50755"
                        xFract="0.2756449"
                        y3="1.5043"
                        yFract="0.29098986"
                        z3="8.69763"
                        zFract="0.34733479"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="3.99245"
                        xFract="0.27564538"
                        y3="4.0891"
                        yFract="0.79099024"
                        z3="8.88006"
                        zFract="0.34733469"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.48851"
                        xFract="0.77564557"
                        y3="1.5043"
                        yFract="0.29098986"
                        z3="8.88006"
                        zFract="0.34733469"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="6.9734"
                        xFract="0.77564437"
                        y3="4.0891"
                        yFract="0.79099024"
                        z3="9.06249"
                        zFract="0.34733462"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.34697"
                        xFract="0.30882555"
                        y3="2.62115"
                        yFract="0.50703188"
                        z3="10.4936"
                        zFract="0.41708238"/>
                  <atom elementType="O"
                        id="a18"
                        x3="1.86207"
                        xFract="0.30882507"
                        y3="0.03635"
                        yFract="0.0070315"
                        z3="10.31117"
                        zFract="0.41708248"/>
                  <atom elementType="O"
                        id="a19"
                        x3="6.32792"
                        xFract="0.80882455"
                        y3="2.62115"
                        yFract="0.50703188"
                        z3="10.67603"
                        zFract="0.41708232"/>
                  <atom elementType="O"
                        id="a20"
                        x3="4.84303"
                        xFract="0.80882575"
                        y3="0.03635"
                        yFract="0.0070315"
                        z3="10.4936"
                        zFract="0.41708239"/>
                  <atom elementType="H"
                        id="a21"
                        x3="1.07481"
                        xFract="0.13655736"
                        y3="0.45375"
                        yFract="0.08777282"
                        z3="10.70929"
                        zFract="0.43473436"/>
                  <atom elementType="H"
                        id="a22"
                        x3="2.5597"
                        xFract="0.13655617"
                        y3="3.03855"
                        yFract="0.5877732"
                        z3="10.89172"
                        zFract="0.43473429"/>
                  <atom elementType="H"
                        id="a23"
                        x3="4.05576"
                        xFract="0.63655636"
                        y3="0.45375"
                        yFract="0.08777282"
                        z3="10.89172"
                        zFract="0.43473429"/>
                  <atom elementType="H"
                        id="a24"
                        x3="5.54066"
                        xFract="0.63655684"
                        y3="3.03855"
                        yFract="0.5877732"
                        z3="11.05415"
                        zFract="0.43391606"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a19 a24" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
               </bondArray>
               <formula concise="H4O4Ag16">
                  <atomArray count="4 4 16" elementType="H O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1789.8887999999993</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/16Ag.2H2O.2HO/h;;;;;;;;;;;;;;;;2*1H2;2*1H/q;;;;;;;;;;;;;;2*+1;;;;/p-2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:1;2;3;4;5;6;7;8;9;10;11;12;14;16;13;15;18;20;17;19/CRV:;;;;;;;;;;;;;;;;;;2*1.1/rA:24AgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgO3OO3OHHHH/rB:s1;s1s2;s2s3;s1s2s3;s2s4s5;s3s4s5s6;s4s6s7;;s5s9;s5s9s10;s5s6s7s10s11;s9s10s11;s10s12s13;s11s12s13s14;s12s14s15;s13s14;s13;s15s16;s15;s18;s17;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
