<?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 Jun 30 2017 19:19:18) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
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               <parameter dictRef="cc:rundate">
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               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">12.148307014121546</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.90438519</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">50.77</scalar>
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                        zFract="0.11764706"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.63894381"
                        xFract="0.08684127"
                        y3="7.1095378"
                        yFract="0.75552699"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="O"
                        id="a80"
                        x3="11.44098373"
                        xFract="0.9201746"
                        y3="3.18868854"
                        yFract="0.33886032"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="O"
                        id="a81"
                        x3="9.52016774"
                        xFract="0.9201746"
                        y3="0.836179"
                        yFract="0.08886032"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="O"
                        id="a82"
                        x3="6.63894375"
                        xFract="0.4201746"
                        y3="3.18868854"
                        yFract="0.33886032"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="O"
                        id="a83"
                        x3="9.52016774"
                        xFract="0.9201746"
                        y3="0.836179"
                        yFract="0.08886032"
                        z3="16.02765668"
                        zFract="0.50236532"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a74" order="S"/>
                  <bond atomRefs2="a2 a79" order="S"/>
                  <bond atomRefs2="a3 a66" order="S"/>
                  <bond atomRefs2="a5 a63" order="S"/>
                  <bond atomRefs2="a5 a70" order="S"/>
                  <bond atomRefs2="a6 a64" order="S"/>
                  <bond atomRefs2="a6 a70" order="S"/>
                  <bond atomRefs2="a7 a70" order="S"/>
                  <bond atomRefs2="a8 a64" order="S"/>
                  <bond atomRefs2="a10 a62" order="S"/>
                  <bond atomRefs2="a11 a64" order="S"/>
                  <bond atomRefs2="a12 a67" order="S"/>
                  <bond atomRefs2="a13 a62" order="S"/>
                  <bond atomRefs2="a14 a73" order="S"/>
                  <bond atomRefs2="a14 a69" order="S"/>
                  <bond atomRefs2="a15 a62" order="S"/>
                  <bond atomRefs2="a15 a73" order="S"/>
                  <bond atomRefs2="a16 a69" order="S"/>
                  <bond atomRefs2="a17 a64" order="S"/>
                  <bond atomRefs2="a18 a67" order="S"/>
                  <bond atomRefs2="a19 a68" order="S"/>
                  <bond atomRefs2="a20 a80" order="S"/>
                  <bond atomRefs2="a21 a66" order="S"/>
                  <bond atomRefs2="a21 a79" order="S"/>
                  <bond atomRefs2="a22 a66" order="S"/>
                  <bond atomRefs2="a22 a78" order="S"/>
                  <bond atomRefs2="a23 a79" order="S"/>
                  <bond atomRefs2="a24 a61" order="S"/>
                  <bond atomRefs2="a25 a78" order="S"/>
                  <bond atomRefs2="a25 a68" order="S"/>
                  <bond atomRefs2="a26 a61" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a27 a63" order="S"/>
                  <bond atomRefs2="a28 a61" order="S"/>
                  <bond atomRefs2="a30 a68" order="S"/>
                  <bond atomRefs2="a30 a65" order="S"/>
                  <bond atomRefs2="a31 a66" order="S"/>
                  <bond atomRefs2="a32 a72" order="S"/>
                  <bond atomRefs2="a33 a80" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a34 a81" order="S"/>
                  <bond atomRefs2="a36 a72" order="S"/>
                  <bond atomRefs2="a38 a75" order="S"/>
                  <bond atomRefs2="a39 a63" order="S"/>
                  <bond atomRefs2="a39 a82" order="S"/>
                  <bond atomRefs2="a40 a81" order="S"/>
                  <bond atomRefs2="a41 a82" order="S"/>
                  <bond atomRefs2="a42 a82" order="S"/>
                  <bond atomRefs2="a42 a76" order="S"/>
                  <bond atomRefs2="a43 a82" order="S"/>
                  <bond atomRefs2="a44 a81" order="S"/>
                  <bond atomRefs2="a44 a78" order="S"/>
                  <bond atomRefs2="a45 a77" order="S"/>
                  <bond atomRefs2="a47 a83" order="S"/>
                  <bond atomRefs2="a48 a75" order="S"/>
                  <bond atomRefs2="a49 a80" order="S"/>
                  <bond atomRefs2="a50 a77" order="S"/>
                  <bond atomRefs2="a51 a75" order="S"/>
                  <bond atomRefs2="a51 a71" order="S"/>
                  <bond atomRefs2="a53 a70" order="S"/>
                  <bond atomRefs2="a53 a77" order="S"/>
                  <bond atomRefs2="a54 a63" order="S"/>
                  <bond atomRefs2="a56 a77" order="S"/>
                  <bond atomRefs2="a57 a76" order="S"/>
                  <bond atomRefs2="a59 a72" order="S"/>
                  <bond atomRefs2="a60 a83" order="S"/>
                  <bond atomRefs2="a60 a73" order="S"/>
               </bondArray>
               <formula concise="Cu60O23">
                  <atomArray count="60 23" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4180.746199999997</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.23O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75;76;77;78;79;80;81;82;83/rA:83CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O3O4O4O1O4OO3OO4O1O3O4O1O3OO4O3O3O3O3O4O/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s24s26s27s28;s10s13s15;s5s27s39s54;s6s8s11s17;s30;s3s21s22s31;s12s18;s19s25s30;s14s16;s5s6s7s53;s51;s32s36s59;s14s15s33s60;s1;s38s48s51;s42s57;s45s50s53s56;s22s25s44;s2s21s23;s20s33s49;s34s40s44;s39s41s42s43;s47s60;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.3000</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">798.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="2">PAW_PBE Cu 05Jan2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Cu O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">63.546 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">60 23</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</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">4 4 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 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="10">1 2 3 4 5 6 7 8 9 10</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="4800">-22.2537 -22.1360 -22.1074 -22.0667 -21.9465 -21.9042 -21.7144 -21.7017 -21.6375 -21.2341 -21.1086 -21.0221 -20.8237 -20.7773 -20.7616 -20.6341 -20.6241 -20.6034 -20.5675 -20.2608 -19.8671 -19.8548 -19.0570 -9.4379 -9.3918 -9.2102 -9.1685 -9.0744 -9.0530 -9.0489 -9.0266 -8.9910 -8.9721 -8.9380 -8.8795 -8.8708 -8.8174 -8.8027 -8.7230 -8.7133 -8.6850 -8.5561 -8.5412 -8.5292 -8.4850 -8.4421 -8.3422 -8.3185 -8.2994 -8.2065 -8.1095 -8.0577 -8.0397 -7.9419 -7.9240 -7.8727 -7.8337 -7.7589 -7.7359 -7.6783 -7.6692 -7.6135 -7.5872 -7.5560 -7.5047 -7.4843 -7.4152 -7.3808 -7.3572 -7.3390 -7.2889 -7.2795 -7.2589 -7.2233 -7.1466 -7.0991 -7.0573 -6.9801 -6.9438 -6.9380 -6.9111 -6.7515 -6.7495 -6.6158 -6.5328 -6.5098 -6.4558 -6.3922 -6.3765 -6.2816 -6.1701 -6.1221 -6.0930 -6.0573 -5.9825 -5.9503 -5.8864 -5.7833 -5.7271 -5.6923 -5.6682 -5.6674 -5.6279 -5.5860 -5.5639 -5.5369 -5.5243 -5.5086 -5.4873 -5.4794 -5.4504 -5.4285 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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-348.76948013</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-348.75273090</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-348.76110551</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2201291E+00</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">9.60407997</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">12.148307014121546</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.90438519</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">50.77</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.31711"
                        xFract="0.17017475"
                        y3="0.83618"
                        yFract="0.08886043"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="8.15638"
                        xFract="0.15655746"
                        y3="8.14797"
                        yFract="0.86588066"
                        z3="8.30577"
                        zFract="0.26033318"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.15874"
                        xFract="0.17017446"
                        y3="5.5412"
                        yFract="0.58886052"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="11.01403"
                        xFract="0.49376775"
                        y3="7.68141"
                        yFract="0.81629956"
                        z3="9.14449"
                        zFract="0.28662173"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.98543"
                        xFract="0.49270443"
                        y3="5.2094"
                        yFract="0.55360031"
                        z3="9.06942"
                        zFract="0.28426876"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="10.14804"
                        xFract="0.51225127"
                        y3="6.40338"
                        yFract="0.68048396"
                        z3="11.34598"
                        zFract="0.35562447"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.89906"
                        xFract="0.13852682"
                        y3="6.82016"
                        yFract="0.72477496"
                        z3="10.7122"
                        zFract="0.33575949"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.9388"
                        xFract="0.47972465"
                        y3="8.9792"
                        yFract="0.95421505"
                        z3="11.26514"
                        zFract="0.35309065"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.19516"
                        xFract="0.18631806"
                        y3="9.07015"
                        yFract="0.96388026"
                        z3="10.46841"
                        zFract="0.32811822"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="5.9689"
                        xFract="0.16686093"
                        y3="5.34767"
                        yFract="0.56829419"
                        z3="13.08952"
                        zFract="0.41027338"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.16211"
                        xFract="0.88831068"
                        y3="5.67143"
                        yFract="0.6027"
                        z3="12.38923"
                        zFract="0.38832373"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.72733"
                        xFract="0.8468826"
                        y3="6.85098"
                        yFract="0.72805018"
                        z3="9.71522"
                        zFract="0.30451049"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.07467"
                        xFract="0.18145564"
                        y3="7.75503"
                        yFract="0.82412312"
                        z3="13.19553"
                        zFract="0.41359612"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.92004"
                        xFract="0.81230428"
                        y3="5.04424"
                        yFract="0.53604884"
                        z3="14.7193"
                        zFract="0.46135664"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.93626"
                        xFract="0.49904993"
                        y3="5.07454"
                        yFract="0.5392688"
                        z3="14.00272"
                        zFract="0.43889641"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.80894"
                        xFract="0.79777942"
                        y3="7.52851"
                        yFract="0.80005095"
                        z3="14.58073"
                        zFract="0.45701335"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.40123"
                        xFract="0.56325791"
                        y3="7.33825"
                        yFract="0.77983212"
                        z3="13.90172"
                        zFract="0.4357307"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.6892"
                        xFract="0.81709699"
                        y3="8.37938"
                        yFract="0.89047248"
                        z3="12.48309"
                        zFract="0.39126565"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.8816"
                        xFract="0.83684197"
                        y3="5.93328"
                        yFract="0.63052667"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="12.2528"
                        xFract="0.86417537"
                        y3="4.84165"
                        yFract="0.5145197"
                        z3="9.72615"
                        zFract="0.30485308"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.11915"
                        xFract="0.17017508"
                        y3="6.71745"
                        yFract="0.71386002"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.03996"
                        xFract="0.50350781"
                        y3="5.14911"
                        yFract="0.54719332"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="5.92544"
                        xFract="0.15571986"
                        y3="5.42549"
                        yFract="0.57656408"
                        z3="8.41399"
                        zFract="0.26372519"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.92119"
                        xFract="0.50350795"
                        y3="8.67788"
                        yFract="0.92219392"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.92119"
                        xFract="0.83684135"
                        y3="4.75703"
                        yFract="0.50552717"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="9.03996"
                        xFract="0.17017441"
                        y3="9.06996"
                        yFract="0.96386007"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="10.00037"
                        xFract="0.50350758"
                        y3="6.32537"
                        yFract="0.67219387"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.96078"
                        xFract="0.50350819"
                        y3="7.50162"
                        yFract="0.79719337"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.80241"
                        xFract="0.8368413"
                        y3="8.28579"
                        yFract="0.88052672"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.8420"
                        xFract="0.83684069"
                        y3="7.10954"
                        yFract="0.75552722"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.07956"
                        xFract="0.17017484"
                        y3="7.89371"
                        yFract="0.83886057"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.26408"
                        xFract="0.17622716"
                        y3="0.70004"
                        yFract="0.0743929"
                        z3="8.37652"
                        zFract="0.26255074"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="11.05367"
                        xFract="0.84805825"
                        y3="3.5626"
                        yFract="0.3785957"
                        z3="12.37527"
                        zFract="0.38788618"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="9.03996"
                        xFract="0.83684121"
                        y3="1.22826"
                        yFract="0.13052657"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="8.21871"
                        xFract="0.8335144"
                        y3="0.26157"
                        yFract="0.02779691"
                        z3="9.63032"
                        zFract="0.30184941"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.27752"
                        xFract="0.17017536"
                        y3="2.01243"
                        yFract="0.21385992"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.19833"
                        xFract="0.5035081"
                        y3="0.44409"
                        yFract="0.04719322"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="5.32138"
                        xFract="0.52491034"
                        y3="0.34305"
                        yFract="0.03645575"
                        z3="13.80817"
                        zFract="0.4327985"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="8.07956"
                        xFract="0.50350824"
                        y3="3.97286"
                        yFract="0.42219383"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.07956"
                        xFract="0.83684164"
                        y3="0.05201"
                        yFract="0.00552708"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="5.19833"
                        xFract="0.1701747"
                        y3="4.36494"
                        yFract="0.46385997"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="6.15874"
                        xFract="0.50350786"
                        y3="1.62035"
                        yFract="0.17219378"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.11915"
                        xFract="0.50350848"
                        y3="2.7966"
                        yFract="0.29719327"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="10.00037"
                        xFract="0.83684097"
                        y3="2.40452"
                        yFract="0.25552713"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.31087"
                        xFract="0.54911663"
                        y3="2.49494"
                        yFract="0.26513601"
                        z3="14.01453"
                        zFract="0.43926657"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.23792"
                        xFract="0.17017408"
                        y3="3.18869"
                        yFract="0.33886048"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="7.63514"
                        xFract="0.79514054"
                        y3="-0.00178"
                        yFract="-0.00018916"
                        z3="14.56544"
                        zFract="0.45653411"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="4.39584"
                        xFract="0.1735468"
                        y3="3.34243"
                        yFract="0.35519835"
                        z3="12.95793"
                        zFract="0.40614887"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="9.91213"
                        xFract="0.85079361"
                        y3="2.13233"
                        yFract="0.22660163"
                        z3="9.63063"
                        zFract="0.30185913"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="9.08178"
                        xFract="0.85549693"
                        y3="1.06004"
                        yFract="0.11264992"
                        z3="12.28428"
                        zFract="0.38503422"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="2.66187"
                        xFract="0.2118386"
                        y3="0.76835"
                        yFract="0.08165217"
                        z3="13.03179"
                        zFract="0.40846391"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="5.04724"
                        xFract="0.15237696"
                        y3="4.38924"
                        yFract="0.46644232"
                        z3="10.7594"
                        zFract="0.33723891"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="7.87907"
                        xFract="0.48810264"
                        y3="3.90852"
                        yFract="0.41535645"
                        z3="11.37771"
                        zFract="0.356619"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="10.96078"
                        xFract="0.83684159"
                        y3="3.58077"
                        yFract="0.38052662"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="3.44204"
                        xFract="0.19162692"
                        y3="1.9616"
                        yFract="0.20845824"
                        z3="10.63471"
                        zFract="0.33333067"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="5.77622"
                        xFract="0.46203815"
                        y3="1.63965"
                        yFract="0.17424478"
                        z3="11.23267"
                        zFract="0.35207292"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="5.04711"
                        xFract="0.4771281"
                        y3="0.56918"
                        yFract="0.06048647"
                        z3="9.09856"
                        zFract="0.28518211"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="7.02597"
                        xFract="0.50587771"
                        y3="2.65461"
                        yFract="0.28210406"
                        z3="9.10032"
                        zFract="0.28523728"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="4.35681"
                        xFract="0.17694302"
                        y3="3.25468"
                        yFract="0.3458732"
                        z3="8.53115"
                        zFract="0.26739741"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.6441"
                        xFract="0.79879736"
                        y3="2.41567"
                        yFract="0.25671203"
                        z3="14.75527"
                        zFract="0.46248407"/>
                  <atom elementType="O"
                        id="a61"
                        x3="10.48058"
                        xFract="0.42017484"
                        y3="7.89371"
                        yFract="0.83886057"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="O"
                        id="a62"
                        x3="7.44464"
                        xFract="0.24844827"
                        y3="6.1954"
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               </formula>
               <property dictRef="cml:molmass">
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               </property>
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
