<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        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 Dec 04 2017 09:28:37) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">IFC13.0_ompi</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2018-10-30T13:00:17.000+01:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">11.794284</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">4.169909</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">59.999972</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="S"
                        id="a1"
                        x3="3.53624514"
                        xFract="0.29982703"
                        y3="0.30570483"
                        yFract="0.07331211"
                        z3="0.81322162"
                        zFract="0.0135537"/>
                  <atom elementType="S"
                        id="a2"
                        x3="2.07186106"
                        xFract="0.17566654"
                        y3="0.32126659"
                        yFract="0.07704403"
                        z3="5.58727719"
                        zFract="0.09312133"/>
                  <atom elementType="S"
                        id="a3"
                        x3="2.19691114"
                        xFract="0.18626914"
                        y3="0.4269702"
                        yFract="0.10239317"
                        z3="10.56236567"
                        zFract="0.17603951"/>
                  <atom elementType="S"
                        id="a4"
                        x3="10.97015911"
                        xFract="0.93012506"
                        y3="2.42470551"
                        yFract="0.58147684"
                        z3="4.24168182"
                        zFract="0.07069473"/>
                  <atom elementType="S"
                        id="a5"
                        x3="0.59448912"
                        xFract="0.05040485"
                        y3="2.38980921"
                        yFract="0.57310824"
                        z3="59.9944178"
                        zFract="0.99990743"/>
                  <atom elementType="S"
                        id="a6"
                        x3="11.3394313"
                        xFract="0.96143448"
                        y3="2.4698499"
                        yFract="0.59230307"
                        z3="8.85111007"
                        zFract="0.14751857"/>
                  <atom elementType="S"
                        id="a7"
                        x3="9.51064525"
                        xFract="0.8063775"
                        y3="0.3033814"
                        yFract="0.07275492"
                        z3="0.94747456"
                        zFract="0.01579125"/>
                  <atom elementType="S"
                        id="a8"
                        x3="7.99472722"
                        xFract="0.67784761"
                        y3="0.31476054"
                        yFract="0.07548379"
                        z3="5.08591803"
                        zFract="0.08476534"/>
                  <atom elementType="S"
                        id="a9"
                        x3="8.33216416"
                        xFract="0.70645782"
                        y3="0.34085403"
                        yFract="0.08174136"
                        z3="9.29465086"
                        zFract="0.15491092"/>
                  <atom elementType="S"
                        id="a10"
                        x3="5.01770322"
                        xFract="0.42543517"
                        y3="2.39867623"
                        yFract="0.57523467"
                        z3="4.30266219"
                        zFract="0.07171107"/>
                  <atom elementType="S"
                        id="a11"
                        x3="6.4377356"
                        xFract="0.54583522"
                        y3="2.39259133"
                        yFract="0.57377543"
                        z3="59.88704725"
                        zFract="0.99811792"/>
                  <atom elementType="S"
                        id="a12"
                        x3="5.28700281"
                        xFract="0.44826823"
                        y3="2.44592501"
                        yFract="0.58656556"
                        z3="9.04914958"
                        zFract="0.15081923"/>
                  <atom elementType="Sn"
                        id="a13"
                        x3="3.82963586"
                        xFract="0.3247027"
                        y3="2.39013417"
                        yFract="0.57318617"
                        z3="59.1503946"
                        zFract="0.98584037"/>
                  <atom elementType="Sn"
                        id="a14"
                        x3="2.54159779"
                        xFract="0.21549403"
                        y3="2.4972412"
                        yFract="0.59887187"
                        z3="8.83894028"
                        zFract="0.14731574"/>
                  <atom elementType="Sn"
                        id="a15"
                        x3="0.41152899"
                        xFract="0.03489224"
                        y3="0.30264758"
                        yFract="0.07257894"
                        z3="1.67584782"
                        zFract="0.02793081"/>
                  <atom elementType="Sn"
                        id="a16"
                        x3="11.21796551"
                        xFract="0.95113578"
                        y3="0.33854866"
                        yFract="0.0811885"
                        z3="5.95424182"
                        zFract="0.09923741"/>
                  <atom elementType="Sn"
                        id="a17"
                        x3="11.26415299"
                        xFract="0.95505187"
                        y3="0.38128168"
                        yFract="0.09143645"
                        z3="10.58899366"
                        zFract="0.17648331"/>
                  <atom elementType="Sn"
                        id="a18"
                        x3="2.38780646"
                        xFract="0.20245455"
                        y3="2.40274727"
                        yFract="0.57621096"
                        z3="3.86945699"
                        zFract="0.06449098"/>
                  <atom elementType="Sn"
                        id="a19"
                        x3="9.79436807"
                        xFract="0.83043346"
                        y3="2.38903932"
                        yFract="0.57292361"
                        z3="59.27158974"
                        zFract="0.98786029"/>
                  <atom elementType="Sn"
                        id="a20"
                        x3="8.87463176"
                        xFract="0.75245193"
                        y3="2.42717238"
                        yFract="0.58206843"
                        z3="7.72810679"
                        zFract="0.12880184"/>
                  <atom elementType="Sn"
                        id="a21"
                        x3="6.15743277"
                        xFract="0.52206923"
                        y3="0.30766635"
                        yFract="0.07378251"
                        z3="1.56492167"
                        zFract="0.02608204"/>
                  <atom elementType="Sn"
                        id="a22"
                        x3="5.46230244"
                        xFract="0.46313133"
                        y3="0.30896841"
                        yFract="0.07409476"
                        z3="5.96501602"
                        zFract="0.09941698"/>
                  <atom elementType="Sn"
                        id="a23"
                        x3="6.00935447"
                        xFract="0.50951414"
                        y3="0.34013952"
                        yFract="0.08157001"
                        z3="10.52218369"
                        zFract="0.17536981"/>
                  <atom elementType="Sn"
                        id="a24"
                        x3="8.40571544"
                        xFract="0.712694"
                        y3="2.40276132"
                        yFract="0.57621433"
                        z3="3.4202528"
                        zFract="0.05700424"/>
                  <atom elementType="K"
                        id="a25"
                        x3="0.30324979"
                        xFract="0.02571159"
                        y3="2.79042596"
                        yFract="0.6691815"
                        z3="15.57175193"
                        zFract="0.25952932"/>
                  <atom elementType="K"
                        id="a26"
                        x3="4.12091858"
                        xFract="0.34939964"
                        y3="2.79428179"
                        yFract="0.67010618"
                        z3="15.59382412"
                        zFract="0.25989719"/>
                  <atom elementType="K"
                        id="a27"
                        x3="8.09954585"
                        xFract="0.68673485"
                        y3="2.79625729"
                        yFract="0.67057993"
                        z3="15.71985406"
                        zFract="0.26199769"/>
                  <atom elementType="Nb"
                        id="a28"
                        x3="2.2275889"
                        xFract="0.18887021"
                        y3="0.74423335"
                        yFract="0.17847712"
                        z3="13.56490947"
                        zFract="0.22608193"/>
                  <atom elementType="Nb"
                        id="a29"
                        x3="6.15263957"
                        xFract="0.52166283"
                        y3="0.7469764"
                        yFract="0.17913494"
                        z3="13.75502778"
                        zFract="0.22925057"/>
                  <atom elementType="Nb"
                        id="a30"
                        x3="10.04984465"
                        xFract="0.85209451"
                        y3="0.74409766"
                        yFract="0.17844458"
                        z3="13.74511099"
                        zFract="0.22908529"/>
                  <atom elementType="O"
                        id="a31"
                        x3="2.19804681"
                        xFract="0.18636543"
                        y3="0.62063032"
                        yFract="0.14883546"
                        z3="15.39760441"
                        zFract="0.25662686"/>
                  <atom elementType="O"
                        id="a32"
                        x3="2.20677835"
                        xFract="0.18710575"
                        y3="2.61868984"
                        yFract="0.62799688"
                        z3="13.41485674"
                        zFract="0.22358105"/>
                  <atom elementType="O"
                        id="a33"
                        x3="0.21317555"
                        xFract="0.01807448"
                        y3="0.54429981"
                        yFract="0.13053038"
                        z3="13.33179518"
                        zFract="0.22219669"/>
                  <atom elementType="O"
                        id="a34"
                        x3="6.14788117"
                        xFract="0.52125938"
                        y3="0.62182513"
                        yFract="0.14912199"
                        z3="15.58231493"
                        zFract="0.25970537"/>
                  <atom elementType="O"
                        id="a35"
                        x3="6.16306524"
                        xFract="0.52254679"
                        y3="2.6303537"
                        yFract="0.63079403"
                        z3="13.58316926"
                        zFract="0.22638626"/>
                  <atom elementType="O"
                        id="a36"
                        x3="4.21169364"
                        xFract="0.35709617"
                        y3="0.54885668"
                        yFract="0.13162318"
                        z3="13.38234335"
                        zFract="0.22303916"/>
                  <atom elementType="O"
                        id="a37"
                        x3="10.07316183"
                        xFract="0.8540715"
                        y3="0.63409613"
                        yFract="0.15206474"
                        z3="15.56611434"
                        zFract="0.25943536"/>
                  <atom elementType="O"
                        id="a38"
                        x3="10.06368677"
                        xFract="0.85326814"
                        y3="2.63138142"
                        yFract="0.63104049"
                        z3="13.55940207"
                        zFract="0.22599014"/>
                  <atom elementType="O"
                        id="a39"
                        x3="8.1129293"
                        xFract="0.68786959"
                        y3="0.53833483"
                        yFract="0.1290999"
                        z3="13.38744935"
                        zFract="0.22312426"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a21" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a24" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a8 a24" order="S"/>
                  <bond atomRefs2="a8 a22" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a10 a18" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a25 a31" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a31" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a37" order="S"/>
                  <bond atomRefs2="a27 a34" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a28 a33" order="S"/>
                  <bond atomRefs2="a28 a36" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a29 a39" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a29 a35" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a30 a39" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
               </bondArray>
               <formula concise="Nb3O9K3S12Sn12">
                  <atomArray count="3 9 3 12 12" elementType="Nb O K S Sn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2349.3086400000016</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/3K.3Nb.9O.12S.12Sn">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24/rA:39S1S1S1SS0SS0SSSS1SSn1SnSn0Sn1Sn1SnSn0SnSn1SnSnSnK4K7K6NbNbNbO3O3O1O3O3OOOO/rB:;;;;;;;;;;;s11;s3s12;;s4;s6;s2s10;;s6s9;s1;s8s10;s9s12;s4s8;;s25;;s25s26;s26s27;s27;s25s26s28;s25s26s28;s28;s26s27s29;s26s27s29;s28s29;s27s30;s27s30;s29s30;/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">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-07</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">0.1E-06</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">-1</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.5000</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">240.0000</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">0.01</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:ldau">
                  <scalar>true</scalar>
               </parameter>
               <parameter dictRef="v:ldautype">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">--</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:ldaul">
                  <array dataType="xsd:integer" size="5">-1 2 -1 2 -1</array>
               </parameter>
               <parameter dictRef="v:ldauu">
                  <array dataType="xsd:double" size="5">0 3.5 0 2.1 0</array>
               </parameter>
               <parameter dictRef="v:ldauj">
                  <array dataType="xsd:double" size="5">0 0 0 0 0</array>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="5">PAW_PBE S 06Sep2000|PAW_PBE Sn 08Apr2002|PAW_PBE K_sv 06Sep2000|PAW_PBE Nb_sv 25May2007|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="5">S Sn K Nb O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">32.066 118.710 39.098 92.910 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">6.000 4.000 9.000 13.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">12 12 3 3 9</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">11.794284000 0.000000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 4.169909000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 59.999972000</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="4">1 2 3 4</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="576">-57.4629 -57.4372 -57.3985 -33.7882 -33.6913 -33.6826 -33.5602 -33.5281 -33.5040 -33.4877 -33.4552 -33.4283 -31.0202 -30.9110 -30.8939 -19.1752 -18.7256 -18.6806 -18.5560 -18.4603 -18.3763 -18.3544 -18.3138 -18.2948 -14.7194 -14.5761 -14.5628 -14.4748 -14.4716 -14.4687 -14.4537 -14.4381 -14.3685 -14.3523 -14.3361 -14.3272 -14.2645 -14.1043 -14.0422 -14.0084 -13.8880 -13.6482 -13.3686 -13.3064 -13.2057 -9.0457 -8.5760 -8.5477 -8.2588 -8.0442 -8.0136 -7.9825 -7.6491 -7.1731 -6.8593 -6.7602 -6.6315 -6.6132 -6.5005 -5.9193 -5.7232 -5.5155 -5.4545 -5.2948 -5.2188 -5.0507 -4.9443 -4.8788 -4.7837 -4.7464 -4.6873 -4.6050 -4.5700 -4.5489 -4.5035 -4.3820 -4.3720 -4.2657 -4.2179 -4.2118 -4.1515 -4.0773 -4.0586 -4.0396 -3.9961 -3.9738 -3.9572 -3.9187 -3.8790 -3.8690 -3.8262 -3.8146 -3.7596 -3.7391 -3.5895 -3.5396 -3.4902 -3.4397 -3.4202 -3.4111 -3.3800 -3.3420 -3.2915 -3.2499 -3.2012 -3.1411 -3.1377 -3.1218 -3.0982 -2.8912 -2.7502 -2.5764 -2.4833 -2.4547 -2.2494 -2.0360 -1.9747 -1.8951 -1.7431 -1.6434 -0.4967 -0.1791 0.0592 0.1366 0.1677 0.3717 0.4652 0.4767 0.5163 0.6008 0.7242 0.8810 0.9449 0.9857 1.0152 1.1521 1.1960 1.2591 1.2991 1.4474 1.4953 1.5244 1.5842 1.5965 -57.4626 -57.4370 -57.3982 -33.7875 -33.6905 -33.6819 -33.5594 -33.5284 -33.5216 -33.5058 -33.4737 -33.4277 -31.0183 -30.9090 -30.8922 -19.1464 -18.6147 -18.5654 -18.4516 -18.4094 -18.3600 -18.3251 -18.3005 -18.2667 -14.5787 -14.5766 -14.4916 -14.4826 -14.4592 -14.4484 -14.4258 -14.3985 -14.3631 -14.3433 -14.3335 -14.3238 -14.1466 -14.0056 -13.9481 -13.9134 -13.8005 -13.5781 -13.3600 -13.2942 -13.1967 -8.9165 -8.5907 -8.5186 -8.2662 -8.1360 -8.1107 -8.0932 -7.8825 -7.4912 -6.9708 -6.8852 -6.8056 -6.6440 -6.5898 -5.8553 -5.6901 -5.5753 -5.4983 -5.4384 -5.3651 -5.2557 -5.2040 -5.1955 -5.1198 -5.0662 -5.0049 -4.9715 -4.9489 -4.9363 -4.9083 -4.8919 -4.8007 -4.7442 -4.7290 -4.6089 -4.4867 -4.4434 -4.4096 -4.3518 -4.2873 -4.2194 -4.1838 -4.1329 -3.9490 -3.7365 -3.7013 -3.6716 -3.6171 -3.5839 -3.5343 -3.5120 -3.4928 -3.4736 -3.4385 -3.4162 -3.2848 -3.2575 -3.2315 -3.1485 -3.1220 -3.0818 -3.0616 -2.9903 -2.9630 -2.7745 -2.6910 -2.5772 -2.5280 -2.4744 -2.1776 -2.1027 -2.0796 -1.9692 -1.8281 -1.6863 0.0745 0.1713 0.3229 0.4183 0.4859 0.5041 0.6013 0.8308 0.8586 0.8680 0.8984 1.0203 1.1011 1.1340 1.1814 1.2011 1.3042 1.3543 1.4408 1.4631 1.5319 1.5626 1.6438 1.6848 -57.4620 -57.4364 -57.3976 -33.7860 -33.6891 -33.6805 -33.5603 -33.5571 -33.5428 -33.5246 -33.5101 -33.4265 -31.0146 -30.9051 -30.8886 -19.1106 -18.5272 -18.4644 -18.3946 -18.3415 -18.2965 -18.1152 -18.0951 -18.0350 -14.5779 -14.5279 -14.5223 -14.4669 -14.4546 -14.4330 -14.4042 -14.3343 -14.3258 -14.2030 -14.0662 -13.9947 -13.8622 -13.7849 -13.7371 -13.7009 -13.6126 -13.4555 -13.4212 -13.3413 -13.2599 -8.7662 -8.7243 -8.4654 -8.4377 -8.4030 -8.3716 -8.3025 -8.2755 -8.1910 -7.6022 -7.4724 -7.2730 -6.6984 -6.6293 -6.2316 -6.1375 -6.0961 -5.9310 -5.7901 -5.6531 -5.6107 -5.5868 -5.4995 -5.4382 -5.3970 -5.3681 -5.3022 -5.2306 -5.1928 -5.1660 -5.1221 -5.0558 -5.0097 -4.9264 -4.8869 -4.8068 -4.7909 -4.6798 -4.5839 -4.4549 -4.3621 -4.3402 -4.2971 -4.2445 -4.0927 -3.8818 -3.7803 -3.7622 -3.7056 -3.6832 -3.6630 -3.5675 -3.4946 -3.4324 -3.3524 -3.2602 -3.2275 -3.1535 -3.1159 -3.0730 -3.0190 -3.0023 -2.9759 -2.9000 -2.7562 -2.7144 -2.6724 -2.5017 -2.4933 -2.4290 -2.4235 -2.3360 -2.2547 -2.1202 -1.9671 -0.1168 -0.0360 0.1671 0.3249 0.3941 0.4719 0.8700 0.9696 1.0789 1.0978 1.3148 1.3812 1.4665 1.4963 1.5395 1.5882 1.6925 1.7624 1.8096 1.8427 1.9196 1.9654 2.0245 2.0333 -57.4618 -57.4361 -57.3973 -33.7853 -33.6883 -33.6799 -33.5776 -33.5613 -33.5563 -33.5294 -33.5229 -33.4259 -31.0127 -30.9031 -30.8868 -19.0991 -18.5186 -18.4510 -18.3879 -18.3316 -18.2893 -17.9445 -17.9262 -17.8632 -14.5783 -14.5392 -14.5297 -14.4811 -14.4662 -14.4485 -14.4339 -14.3294 -14.3238 -13.8028 -13.7290 -13.6871 -13.6700 -13.6495 -13.6424 -13.6184 -13.5667 -13.5123 -13.5013 -13.4928 -13.4109 -8.8848 -8.8679 -8.6932 -8.6500 -8.5257 -8.5210 -8.2499 -8.1914 -8.1191 -8.0454 -7.9474 -7.9061 -6.7766 -6.7530 -6.7041 -6.5349 -6.5014 -5.8693 -5.8171 -5.8007 -5.7369 -5.6854 -5.5683 -5.4873 -5.4387 -5.2920 -5.2429 -5.2143 -5.1258 -5.1090 -5.0969 -5.0732 -4.9999 -4.9203 -4.9082 -4.8461 -4.7818 -4.6670 -4.6613 -4.5197 -4.4719 -4.4365 -4.3837 -4.2946 -4.2735 -4.1351 -4.0832 -4.0587 -3.9886 -3.8469 -3.7418 -3.7180 -3.5501 -3.4823 -3.3493 -3.2505 -3.2392 -3.1948 -3.1838 -3.1114 -3.0498 -3.0341 -2.9091 -2.8153 -2.7698 -2.7285 -2.6767 -2.6236 -2.5704 -2.4568 -2.3705 -2.3386 -2.3243 -2.2356 -2.1631 -0.3660 -0.2415 0.1119 0.2209 0.3443 0.4127 0.8727 0.8784 0.9303 1.2229 1.3667 1.5032 1.5357 1.5845 1.6195 1.6381 1.6951 1.7744 1.9715 1.9829 2.0457 2.0823 2.1347 2.2267</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="576">2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <scalar dataType="xsd:double"
                             dictRef="cc:freeEnergy"
                             units="nonsi:electronvolt">-211.16904718</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="v:noEntropyEnergy"
                             units="nonsi:electronvolt">-211.16904718</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:e0" units="nonsi:electronvolt">-211.16904718</scalar>
                     <scalar dataType="xsd:double" dictRef="v:efermi" units="nonsi:electronvolt">-1.5955</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">11.794284</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">4.169909</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">59.999972</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="S"
                        id="a1"
                        x3="3.53625"
                        xFract="0.29982744"
                        y3="0.3057"
                        yFract="0.07331095"
                        z3="0.81322"
                        zFract="0.01355367"/>
                  <atom elementType="S"
                        id="a2"
                        x3="2.07186"
                        xFract="0.17566645"
                        y3="0.32127"
                        yFract="0.07704485"
                        z3="5.58728"
                        zFract="0.09312138"/>
                  <atom elementType="S"
                        id="a3"
                        x3="2.19691"
                        xFract="0.18626904"
                        y3="0.42697"
                        yFract="0.10239312"
                        z3="10.56237"
                        zFract="0.17603958"/>
                  <atom elementType="S"
                        id="a4"
                        x3="10.97016"
                        xFract="0.93012514"
                        y3="2.42471"
                        yFract="0.58147792"
                        z3="4.24168"
                        zFract="0.0706947"/>
                  <atom elementType="S"
                        id="a5"
                        x3="0.59449"
                        xFract="0.05040492"
                        y3="2.38981"
                        yFract="0.57310843"
                        z3="59.99442"
                        zFract="0.99990747"/>
                  <atom elementType="S"
                        id="a6"
                        x3="11.33943"
                        xFract="0.96143437"
                        y3="2.46985"
                        yFract="0.59230309"
                        z3="8.85111"
                        zFract="0.14751857"/>
                  <atom elementType="S"
                        id="a7"
                        x3="9.51065"
                        xFract="0.8063779"
                        y3="0.30338"
                        yFract="0.07275459"
                        z3="0.94747"
                        zFract="0.01579117"/>
                  <atom elementType="S"
                        id="a8"
                        x3="7.99473"
                        xFract="0.67784785"
                        y3="0.31476"
                        yFract="0.07548366"
                        z3="5.08592"
                        zFract="0.08476537"/>
                  <atom elementType="S"
                        id="a9"
                        x3="8.33216"
                        xFract="0.70645747"
                        y3="0.34085"
                        yFract="0.08174039"
                        z3="9.29465"
                        zFract="0.15491091"/>
                  <atom elementType="S"
                        id="a10"
                        x3="5.0177"
                        xFract="0.4254349"
                        y3="2.39868"
                        yFract="0.57523557"
                        z3="4.30266"
                        zFract="0.07171103"/>
                  <atom elementType="S"
                        id="a11"
                        x3="6.43774"
                        xFract="0.54583559"
                        y3="2.39259"
                        yFract="0.57377511"
                        z3="59.88705"
                        zFract="0.99811797"/>
                  <atom elementType="S"
                        id="a12"
                        x3="5.2870"
                        xFract="0.44826799"
                        y3="2.44593"
                        yFract="0.58656676"
                        z3="9.04915"
                        zFract="0.15081924"/>
                  <atom elementType="Sn"
                        id="a13"
                        x3="3.82964"
                        xFract="0.32470305"
                        y3="2.39013"
                        yFract="0.57318517"
                        z3="59.15039"
                        zFract="0.98584029"/>
                  <atom elementType="Sn"
                        id="a14"
                        x3="2.5416"
                        xFract="0.21549422"
                        y3="2.49724"
                        yFract="0.59887158"
                        z3="8.83894"
                        zFract="0.14731574"/>
                  <atom elementType="Sn"
                        id="a15"
                        x3="0.41153"
                        xFract="0.03489233"
                        y3="0.30265"
                        yFract="0.07257952"
                        z3="1.67585"
                        zFract="0.02793085"/>
                  <atom elementType="Sn"
                        id="a16"
                        x3="11.21797"
                        xFract="0.95113616"
                        y3="0.33855"
                        yFract="0.08118882"
                        z3="5.95424"
                        zFract="0.09923738"/>
                  <atom elementType="Sn"
                        id="a17"
                        x3="11.26415"
                        xFract="0.95505162"
                        y3="0.38128"
                        yFract="0.09143605"
                        z3="10.58899"
                        zFract="0.17648325"/>
                  <atom elementType="Sn"
                        id="a18"
                        x3="2.38781"
                        xFract="0.20245485"
                        y3="2.40275"
                        yFract="0.57621162"
                        z3="3.86946"
                        zFract="0.06449103"/>
                  <atom elementType="Sn"
                        id="a19"
                        x3="9.79437"
                        xFract="0.83043362"
                        y3="2.38904"
                        yFract="0.57292377"
                        z3="59.27159"
                        zFract="0.98786029"/>
                  <atom elementType="Sn"
                        id="a20"
                        x3="8.87463"
                        xFract="0.75245178"
                        y3="2.42717"
                        yFract="0.58206786"
                        z3="7.72811"
                        zFract="0.12880189"/>
                  <atom elementType="Sn"
                        id="a21"
                        x3="6.15743"
                        xFract="0.522069"
                        y3="0.30767"
                        yFract="0.07378338"
                        z3="1.56492"
                        zFract="0.02608201"/>
                  <atom elementType="Sn"
                        id="a22"
                        x3="5.4623"
                        xFract="0.46313112"
                        y3="0.30897"
                        yFract="0.07409514"
                        z3="5.96502"
                        zFract="0.09941705"/>
                  <atom elementType="Sn"
                        id="a23"
                        x3="6.00935"
                        xFract="0.50951376"
                        y3="0.34014"
                        yFract="0.08157013"
                        z3="10.52218"
                        zFract="0.17536975"/>
                  <atom elementType="Sn"
                        id="a24"
                        x3="8.40572"
                        xFract="0.71269439"
                        y3="2.40276"
                        yFract="0.57621401"
                        z3="3.42025"
                        zFract="0.05700419"/>
                  <atom elementType="K"
                        id="a25"
                        x3="0.30325"
                        xFract="0.02571161"
                        y3="2.79043"
                        yFract="0.66918247"
                        z3="15.57175"
                        zFract="0.25952929"/>
                  <atom elementType="K"
                        id="a26"
                        x3="4.12092"
                        xFract="0.34939976"
                        y3="2.79428"
                        yFract="0.67010575"
                        z3="15.59382"
                        zFract="0.25989712"/>
                  <atom elementType="K"
                        id="a27"
                        x3="8.09955"
                        xFract="0.6867352"
                        y3="2.79626"
                        yFract="0.67058058"
                        z3="15.71985"
                        zFract="0.26199762"/>
                  <atom elementType="Nb"
                        id="a28"
                        x3="2.22759"
                        xFract="0.1888703"
                        y3="0.74423"
                        yFract="0.17847632"
                        z3="13.56491"
                        zFract="0.22608194"/>
                  <atom elementType="Nb"
                        id="a29"
                        x3="6.15264"
                        xFract="0.52166287"
                        y3="0.74698"
                        yFract="0.1791358"
                        z3="13.75503"
                        zFract="0.22925061"/>
                  <atom elementType="Nb"
                        id="a30"
                        x3="10.04984"
                        xFract="0.85209412"
                        y3="0.7441"
                        yFract="0.17844514"
                        z3="13.74511"
                        zFract="0.22908527"/>
                  <atom elementType="O"
                        id="a31"
                        x3="2.19805"
                        xFract="0.1863657"
                        y3="0.62063"
                        yFract="0.14883538"
                        z3="15.3976"
                        zFract="0.25662679"/>
                  <atom elementType="O"
                        id="a32"
                        x3="2.20678"
                        xFract="0.18710589"
                        y3="2.61869"
                        yFract="0.62799692"
                        z3="13.41486"
                        zFract="0.2235811"/>
                  <atom elementType="O"
                        id="a33"
                        x3="0.21318"
                        xFract="0.01807486"
                        y3="0.5443"
                        yFract="0.13053043"
                        z3="13.3318"
                        zFract="0.22219677"/>
                  <atom elementType="O"
                        id="a34"
                        x3="6.14788"
                        xFract="0.52125928"
                        y3="0.62183"
                        yFract="0.14912316"
                        z3="15.58231"
                        zFract="0.25970529"/>
                  <atom elementType="O"
                        id="a35"
                        x3="6.16307"
                        xFract="0.52254719"
                        y3="2.63035"
                        yFract="0.63079314"
                        z3="13.58317"
                        zFract="0.22638627"/>
                  <atom elementType="O"
                        id="a36"
                        x3="4.21169"
                        xFract="0.35709586"
                        y3="0.54886"
                        yFract="0.13162398"
                        z3="13.38234"
                        zFract="0.2230391"/>
                  <atom elementType="O"
                        id="a37"
                        x3="10.07316"
                        xFract="0.85407135"
                        y3="0.6341"
                        yFract="0.15206567"
                        z3="15.56611"
                        zFract="0.25943529"/>
                  <atom elementType="O"
                        id="a38"
                        x3="10.06369"
                        xFract="0.85326841"
                        y3="2.63138"
                        yFract="0.63104015"
                        z3="13.5594"
                        zFract="0.22599011"/>
                  <atom elementType="O"
                        id="a39"
                        x3="8.11293"
                        xFract="0.68786965"
                        y3="0.53833"
                        yFract="0.12909874"
                        z3="13.38745"
                        zFract="0.22312427"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a21" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a24" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a8 a24" order="S"/>
                  <bond atomRefs2="a8 a22" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a10 a18" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a25 a31" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a31" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a37" order="S"/>
                  <bond atomRefs2="a27 a34" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a28 a33" order="S"/>
                  <bond atomRefs2="a28 a36" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a29 a39" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a29 a35" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a30 a39" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
               </bondArray>
               <formula concise="Nb3O9K3S12Sn12">
                  <atomArray count="3 9 3 12 12" elementType="Nb O K S Sn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2349.3086400000016</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/3K.3Nb.9O.12S.12Sn">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24/rA:39S1S1S1SS0SS0SSSS1SSn1SnSn0Sn1Sn1SnSn0SnSn1SnSnSnK4K7K6NbNbNbO3O3O1O3O3OOOO/rB:;;;;;;;;;;;s11;s3s12;;s4;s6;s2s10;;s6s9;s1;s8s10;s9s12;s4s8;;s25;;s25s26;s26s27;s27;s25s26s28;s25s26s28;s28;s26s27s29;s26s27s29;s28s29;s27s30;s27s30;s29s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
