<?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">5.4.1</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">24Jun15 (build Nov 12 2022 00:32:46) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LINUXIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2023-02-20T22:08:05.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">23.0</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">23.0</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">23.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="9.24849711"
                        xFract="0.40210857"
                        y3="11.9916066"
                        yFract="0.5213742"
                        z3="10.35217442"
                        zFract="0.45009454"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.08759367"
                        xFract="0.48206929"
                        y3="11.94376683"
                        yFract="0.51929421"
                        z3="8.59334832"
                        zFract="0.37362384"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="11.07581146"
                        xFract="0.48155702"
                        y3="10.15832237"
                        yFract="0.44166619"
                        z3="10.40626559"
                        zFract="0.45244633"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="11.08519684"
                        xFract="0.48196508"
                        y3="13.75855055"
                        yFract="0.59819785"
                        z3="10.38370029"
                        zFract="0.45146523"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="11.07262297"
                        xFract="0.48141839"
                        y3="11.96784668"
                        yFract="0.52034116"
                        z3="12.19107157"
                        zFract="0.53004659"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.49734933"
                        xFract="0.32597171"
                        y3="11.97013978"
                        yFract="0.52044086"
                        z3="8.57271341"
                        zFract="0.37272667"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="9.19290289"
                        xFract="0.39969143"
                        y3="13.83770482"
                        yFract="0.60163934"
                        z3="8.48491597"
                        zFract="0.36890939"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="9.21313415"
                        xFract="0.40057105"
                        y3="10.1159566"
                        yFract="0.4398242"
                        z3="8.51490521"
                        zFract="0.37021327"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="7.51555544"
                        xFract="0.32676328"
                        y3="10.19421686"
                        yFract="0.44322682"
                        z3="10.36319556"
                        zFract="0.45057372"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="9.22954764"
                        xFract="0.40128468"
                        y3="10.17305778"
                        yFract="0.44230686"
                        z3="12.20699171"
                        zFract="0.53073877"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="9.28832621"
                        xFract="0.40384027"
                        y3="11.95408164"
                        yFract="0.51974268"
                        z3="6.82689036"
                        zFract="0.29682132"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="9.2966115"
                        xFract="0.4042005"
                        y3="8.44210377"
                        yFract="0.36704799"
                        z3="10.37058776"
                        zFract="0.45089512"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="12.91334011"
                        xFract="0.56144957"
                        y3="11.98305543"
                        yFract="0.52100241"
                        z3="10.36624053"
                        zFract="0.45070611"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="12.95575694"
                        xFract="0.56329378"
                        y3="10.10953247"
                        yFract="0.43954489"
                        z3="8.52591071"
                        zFract="0.37069177"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="11.0896846"
                        xFract="0.4821602"
                        y3="10.18948875"
                        yFract="0.44302125"
                        z3="6.82055363"
                        zFract="0.29654581"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.08103982"
                        xFract="0.48178434"
                        y3="8.43500436"
                        yFract="0.36673932"
                        z3="8.58069901"
                        zFract="0.37307387"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.50086534"
                        xFract="0.32612458"
                        y3="13.78745304"
                        yFract="0.59945448"
                        z3="10.34252293"
                        zFract="0.44967491"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.49732955"
                        xFract="0.32597085"
                        y3="12.00666976"
                        yFract="0.52202912"
                        z3="12.12699081"
                        zFract="0.52726047"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="9.20511152"
                        xFract="0.40022224"
                        y3="13.85860492"
                        yFract="0.60254804"
                        z3="12.20011103"
                        zFract="0.53043961"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="12.98555896"
                        xFract="0.56458952"
                        y3="13.82855105"
                        yFract="0.60124135"
                        z3="8.49750341"
                        zFract="0.36945667"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="11.09384645"
                        xFract="0.48234115"
                        y3="13.69210102"
                        yFract="0.59530874"
                        z3="6.84028993"
                        zFract="0.29740391"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="12.85433154"
                        xFract="0.55888398"
                        y3="8.43712335"
                        yFract="0.36683145"
                        z3="10.38350502"
                        zFract="0.45145674"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="12.90926865"
                        xFract="0.56127255"
                        y3="10.16493648"
                        yFract="0.44195376"
                        z3="12.21824216"
                        zFract="0.53122792"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.06480987"
                        xFract="0.48107869"
                        y3="8.39598049"
                        yFract="0.36504263"
                        z3="12.23840373"
                        zFract="0.53210451"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="9.29949271"
                        xFract="0.40432577"
                        y3="15.52813651"
                        yFract="0.67513637"
                        z3="10.34385095"
                        zFract="0.44973265"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="11.09329859"
                        xFract="0.48231733"
                        y3="15.48031169"
                        yFract="0.67305703"
                        z3="8.59319422"
                        zFract="0.37361714"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="14.64025394"
                        xFract="0.63653278"
                        y3="10.17881422"
                        yFract="0.44255714"
                        z3="10.38562769"
                        zFract="0.45154903"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="9.2563845"
                        xFract="0.4024515"
                        y3="12.03879064"
                        yFract="0.52342568"
                        z3="13.89235397"
                        zFract="0.60401539"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="11.0618408"
                        xFract="0.4809496"
                        y3="10.22134421"
                        yFract="0.44440627"
                        z3="14.01248159"
                        zFract="0.60923833"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="12.8778817"
                        xFract="0.5599079"
                        y3="15.52161992"
                        yFract="0.67485304"
                        z3="10.35475065"
                        zFract="0.45020655"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="12.95624362"
                        xFract="0.56331494"
                        y3="13.85183464"
                        yFract="0.60225368"
                        z3="12.21250044"
                        zFract="0.53097828"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="11.08365216"
                        xFract="0.48189792"
                        y3="15.54400191"
                        yFract="0.67582617"
                        z3="12.13073245"
                        zFract="0.52742315"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="12.88111297"
                        xFract="0.56004839"
                        y3="12.03164362"
                        yFract="0.52311494"
                        z3="13.90133593"
                        zFract="0.60440591"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="11.07305422"
                        xFract="0.48143714"
                        y3="13.79367017"
                        yFract="0.59972479"
                        z3="13.89169801"
                        zFract="0.60398687"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="14.65351758"
                        xFract="0.63710946"
                        y3="11.98828609"
                        yFract="0.52122983"
                        z3="12.14626688"
                        zFract="0.52809856"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="12.8954468"
                        xFract="0.5606716"
                        y3="11.94891285"
                        yFract="0.51951795"
                        z3="6.83576399"
                        zFract="0.29720713"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="14.66937263"
                        xFract="0.63779881"
                        y3="13.77459512"
                        yFract="0.59889544"
                        z3="10.36574258"
                        zFract="0.45068446"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="14.67448714"
                        xFract="0.63802118"
                        y3="11.95833756"
                        yFract="0.51992772"
                        z3="8.59358821"
                        zFract="0.37363427"/>
                  <atom elementType="O"
                        id="a39"
                        x3="11.06292778"
                        xFract="0.48099686"
                        y3="6.92195465"
                        yFract="0.30095455"
                        z3="13.44890362"
                        zFract="0.58473494"/>
                  <atom elementType="O"
                        id="a40"
                        x3="11.06701396"
                        xFract="0.48117452"
                        y3="9.10192179"
                        yFract="0.39573573"
                        z3="15.55612222"
                        zFract="0.67635314"/>
                  <atom elementType="C"
                        id="a41"
                        x3="11.06275298"
                        xFract="0.48098926"
                        y3="7.81167515"
                        yFract="0.33963805"
                        z3="15.72736389"
                        zFract="0.68379843"/>
                  <atom elementType="C"
                        id="a42"
                        x3="11.06190543"
                        xFract="0.48095241"
                        y3="6.79408523"
                        yFract="0.29539501"
                        z3="14.74354878"
                        zFract="0.64102386"/>
                  <atom elementType="H"
                        id="a43"
                        x3="11.06007003"
                        xFract="0.48087261"
                        y3="7.46320238"
                        yFract="0.32448706"
                        z3="16.77347312"
                        zFract="0.72928144"/>
                  <atom elementType="H"
                        id="a44"
                        x3="11.05603744"
                        xFract="0.48069728"
                        y3="5.76020671"
                        yFract="0.25044377"
                        z3="15.12671705"
                        zFract="0.65768335"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a19" order="S"/>
                  <bond atomRefs2="a1 a18" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a7" order="S"/>
                  <bond atomRefs2="a1 a17" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a1 a9" order="S"/>
                  <bond atomRefs2="a1 a8" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a36" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a21" order="S"/>
                  <bond atomRefs2="a2 a20" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a3 a13" order="S"/>
                  <bond atomRefs2="a3 a23" order="S"/>
                  <bond atomRefs2="a3 a22" order="S"/>
                  <bond atomRefs2="a3 a16" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a10" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a3 a24" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a31" order="S"/>
                  <bond atomRefs2="a4 a32" order="S"/>
                  <bond atomRefs2="a4 a30" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a4 a20" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a25" order="S"/>
                  <bond atomRefs2="a5 a34" order="S"/>
                  <bond atomRefs2="a5 a29" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a5 a19" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a5 a23" order="S"/>
                  <bond atomRefs2="a5 a31" order="S"/>
                  <bond atomRefs2="a5 a33" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a7 a26" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a8 a16" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a10 a29" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a10 a28" order="S"/>
                  <bond atomRefs2="a10 a18" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a21" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a13 a20" order="S"/>
                  <bond atomRefs2="a13 a37" order="S"/>
                  <bond atomRefs2="a13 a31" order="S"/>
                  <bond atomRefs2="a13 a35" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a23" order="S"/>
                  <bond atomRefs2="a13 a27" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a38" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a36" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a27" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a15 a36" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a28" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a19 a34" order="S"/>
                  <bond atomRefs2="a19 a28" order="S"/>
                  <bond atomRefs2="a19 a25" order="S"/>
                  <bond atomRefs2="a19 a32" order="S"/>
                  <bond atomRefs2="a20 a30" order="S"/>
                  <bond atomRefs2="a20 a37" order="S"/>
                  <bond atomRefs2="a20 a26" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a38" order="S"/>
                  <bond atomRefs2="a20 a36" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a36" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a27" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a23 a27" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a29" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a24 a29" order="S"/>
                  <bond atomRefs2="a24 a39" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a40" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a37" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
               </bondArray>
               <formula concise="C2H2Cu38O2">
                  <atomArray count="2 2 38 2" elementType="C H Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2470.7682</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:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
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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">-136.46419308</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-136.43720720</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-136.45519779</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-3.5347</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.6361150E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">23.0</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">23.0</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">23.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="9.25288"
                        xFract="0.40229913"
                        y3="11.99279"
                        yFract="0.52142565"
                        z3="10.35179"
                        zFract="0.45007783"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.08732"
                        xFract="0.48205739"
                        y3="11.93918"
                        yFract="0.51909478"
                        z3="8.59028"
                        zFract="0.37349043"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="11.07552"
                        xFract="0.48154435"
                        y3="10.15437"
                        yFract="0.44149435"
                        z3="10.40649"
                        zFract="0.45245609"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="11.08436"
                        xFract="0.4819287"
                        y3="13.76179"
                        yFract="0.5983387"
                        z3="10.38721"
                        zFract="0.45161783"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="11.07131"
                        xFract="0.4813613"
                        y3="11.97327"
                        yFract="0.52057696"
                        z3="12.19489"
                        zFract="0.53021261"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.50521"
                        xFract="0.32631348"
                        y3="11.96876"
                        yFract="0.52038087"
                        z3="8.57172"
                        zFract="0.37268348"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="9.20225"
                        xFract="0.40009783"
                        y3="13.83176"
                        yFract="0.60138087"
                        z3="8.48822"
                        zFract="0.36905304"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="9.22093"
                        xFract="0.40091"
                        y3="10.11916"
                        yFract="0.43996348"
                        z3="8.51717"
                        zFract="0.37031174"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="7.51112"
                        xFract="0.32657043"
                        y3="10.19645"
                        yFract="0.44332391"
                        z3="10.36085"
                        zFract="0.45047174"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="9.22699"
                        xFract="0.40117348"
                        y3="10.18135"
                        yFract="0.44266739"
                        z3="12.20176"
                        zFract="0.5305113"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="9.28943"
                        xFract="0.40388826"
                        y3="11.94941"
                        yFract="0.51953957"
                        z3="6.82155"
                        zFract="0.29658913"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="9.28507"
                        xFract="0.4036987"
                        y3="8.44349"
                        yFract="0.36710826"
                        z3="10.36233"
                        zFract="0.45053609"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="12.90664"
                        xFract="0.56115826"
                        y3="11.98427"
                        yFract="0.52105522"
                        z3="10.36603"
                        zFract="0.45069696"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="12.94669"
                        xFract="0.56289957"
                        y3="10.11292"
                        yFract="0.43969217"
                        z3="8.53029"
                        zFract="0.37088217"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="11.09022"
                        xFract="0.48218348"
                        y3="10.1802"
                        yFract="0.44261739"
                        z3="6.81515"
                        zFract="0.29631087"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.07992"
                        xFract="0.48173565"
                        y3="8.42744"
                        yFract="0.36641043"
                        z3="8.58019"
                        zFract="0.37305174"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.50761"
                        xFract="0.32641783"
                        y3="13.78753"
                        yFract="0.59945783"
                        z3="10.34079"
                        zFract="0.44959957"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.49446"
                        xFract="0.32584609"
                        y3="12.01384"
                        yFract="0.52234087"
                        z3="12.1275"
                        zFract="0.52728261"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="9.21185"
                        xFract="0.40051522"
                        y3="13.85949"
                        yFract="0.60258652"
                        z3="12.1961"
                        zFract="0.53026522"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="12.98029"
                        xFract="0.56436043"
                        y3="13.82399"
                        yFract="0.60104304"
                        z3="8.50024"
                        zFract="0.36957565"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="11.09639"
                        xFract="0.48245174"
                        y3="13.68966"
                        yFract="0.59520261"
                        z3="6.83654"
                        zFract="0.29724087"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="12.86386"
                        xFract="0.55929826"
                        y3="8.43609"
                        yFract="0.36678652"
                        z3="10.37522"
                        zFract="0.45109652"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="12.91109"
                        xFract="0.56135174"
                        y3="10.17205"
                        yFract="0.44226304"
                        z3="12.21373"
                        zFract="0.53103174"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.06522"
                        xFract="0.48109652"
                        y3="8.39915"
                        yFract="0.36518043"
                        z3="12.22326"
                        zFract="0.53144609"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="9.29852"
                        xFract="0.40428348"
                        y3="15.53313"
                        yFract="0.67535348"
                        z3="10.34406"
                        zFract="0.44974174"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="11.09569"
                        xFract="0.4824213"
                        y3="15.4827"
                        yFract="0.67316087"
                        z3="8.59383"
                        zFract="0.37364478"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="14.64233"
                        xFract="0.63662304"
                        y3="10.18006"
                        yFract="0.4426113"
                        z3="10.38534"
                        zFract="0.45153652"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="9.24623"
                        xFract="0.40201"
                        y3="12.04963"
                        yFract="0.52389696"
                        z3="13.8951"
                        zFract="0.60413478"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="11.06146"
                        xFract="0.48093304"
                        y3="10.23292"
                        yFract="0.44490957"
                        z3="14.00074"
                        zFract="0.60872783"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="12.87845"
                        xFract="0.55993261"
                        y3="15.5255"
                        yFract="0.67502174"
                        z3="10.35806"
                        zFract="0.45035043"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="12.94575"
                        xFract="0.5628587"
                        y3="13.85174"
                        yFract="0.60224957"
                        z3="12.21072"
                        zFract="0.53090087"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="11.08158"
                        xFract="0.48180783"
                        y3="15.55245"
                        yFract="0.67619348"
                        z3="12.13475"
                        zFract="0.52759783"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="12.88584"
                        xFract="0.56025391"
                        y3="12.0421"
                        yFract="0.52356957"
                        z3="13.90574"
                        zFract="0.60459739"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="11.06997"
                        xFract="0.48130304"
                        y3="13.80059"
                        yFract="0.60002565"
                        z3="13.89913"
                        zFract="0.60431"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="14.65273"
                        xFract="0.63707522"
                        y3="11.99486"
                        yFract="0.52151565"
                        z3="12.14897"
                        zFract="0.52821609"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="12.89688"
                        xFract="0.56073391"
                        y3="11.94324"
                        yFract="0.5192713"
                        z3="6.83222"
                        zFract="0.29705304"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="14.66046"
                        xFract="0.6374113"
                        y3="13.7738"
                        yFract="0.59886087"
                        z3="10.3677"
                        zFract="0.45076957"/>
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                        id="a38"
                        x3="14.66729"
                        xFract="0.63770826"
                        y3="11.95634"
                        yFract="0.51984087"
                        z3="8.59529"
                        zFract="0.37370826"/>
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                        id="a39"
                        x3="11.0682"
                        xFract="0.48122609"
                        y3="6.9075"
                        yFract="0.30032609"
                        z3="13.4585"
                        zFract="0.58515217"/>
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                        id="a40"
                        x3="11.06907"
                        xFract="0.48126391"
                        y3="9.08815"
                        yFract="0.39513696"
                        z3="15.55988"
                        zFract="0.67651652"/>
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                        x3="11.0656"
                        xFract="0.48111304"
                        y3="7.80999"
                        yFract="0.33956478"
                        z3="15.73439"
                        zFract="0.68410391"/>
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                        id="a42"
                        x3="11.06539"
                        xFract="0.48110391"
                        y3="6.78053"
                        yFract="0.29480565"
                        z3="14.74264"
                        zFract="0.64098435"/>
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                        id="a43"
                        x3="11.06229"
                        xFract="0.48096913"
                        y3="7.45608"
                        yFract="0.32417739"
                        z3="16.78071"
                        zFract="0.72959609"/>
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                        id="a44"
                        x3="11.0605"
                        xFract="0.4808913"
                        y3="5.74946"
                        yFract="0.24997652"
                        z3="15.13668"
                        zFract="0.65811652"/>
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               <bondArray>
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                  <bond atomRefs2="a1 a19" order="S"/>
                  <bond atomRefs2="a1 a18" order="S"/>
                  <bond atomRefs2="a1 a7" order="S"/>
                  <bond atomRefs2="a1 a17" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a1 a9" order="S"/>
                  <bond atomRefs2="a1 a8" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a36" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a21" order="S"/>
                  <bond atomRefs2="a2 a20" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a13" order="S"/>
                  <bond atomRefs2="a3 a23" order="S"/>
                  <bond atomRefs2="a3 a22" order="S"/>
                  <bond atomRefs2="a3 a16" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a10" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a3 a24" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a31" order="S"/>
                  <bond atomRefs2="a4 a32" order="S"/>
                  <bond atomRefs2="a4 a30" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a4 a20" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a25" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a5 a23" order="S"/>
                  <bond atomRefs2="a5 a31" order="S"/>
                  <bond atomRefs2="a5 a33" order="S"/>
                  <bond atomRefs2="a5 a29" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a5 a34" order="S"/>
                  <bond atomRefs2="a5 a19" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a7 a26" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a8 a16" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a10 a29" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a10 a28" order="S"/>
                  <bond atomRefs2="a10 a18" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a21" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a13 a20" order="S"/>
                  <bond atomRefs2="a13 a37" order="S"/>
                  <bond atomRefs2="a13 a31" order="S"/>
                  <bond atomRefs2="a13 a35" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a23" order="S"/>
                  <bond atomRefs2="a13 a27" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a38" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a36" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a27" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a15 a36" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a28" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a19 a28" order="S"/>
                  <bond atomRefs2="a19 a34" order="S"/>
                  <bond atomRefs2="a19 a25" order="S"/>
                  <bond atomRefs2="a19 a32" order="S"/>
                  <bond atomRefs2="a20 a30" order="S"/>
                  <bond atomRefs2="a20 a37" order="S"/>
                  <bond atomRefs2="a20 a26" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a38" order="S"/>
                  <bond atomRefs2="a20 a36" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a36" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a27" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a23 a27" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a29" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a24 a29" order="S"/>
                  <bond atomRefs2="a24 a39" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a29 a40" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a37" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
               </bondArray>
               <formula concise="C2H2Cu38O2">
                  <atomArray count="2 2 38 2" elementType="C H Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2470.7682</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
