<?xml version="1.0" encoding="UTF-8" ?>
<cml convention="CMLComp" xmlns="http://www.xml-cml.org/schema"
 xmlns:siesta="http://www.uam.es/siesta/namespace"
 xmlns:siestaUnits="http://www.uam.es/siesta/namespace/units"
 xmlns:xsd="http://www.w3.org/2001/XMLSchema"
 xmlns:fpx="http://www.uszla.me.uk/fpx"
 xmlns:dc="http://purl.org/dc/elements/1.1/"
 xmlns:units="http://www.uszla.me.uk/FoX/units"
 xmlns:cmlUnits="http://www.xml-cml.org/units/units"
 xmlns:siUnits="http://www.xml-cml.org/units/siUnits"
 xmlns:atomicUnits="http://www.xml-cml.org/units/atomic">
 <metadataList>
  <metadata name="siesta:Program" content="Siesta" />
  <metadata name="siesta:Version" content="v4.1-b4" />
  <metadata name="siesta:Arch" content="unknown" />
  <metadata name="siesta:Flags" content="mpif90 -O2 -fPIC -ftree-vectorize" />
  <metadata name="siesta:PPFlags"
   content="-DFC_HAVE_ABORT -DMPI -DCDF -DNCDF -DNCDF_4 -DSIESTA__DIAG_2STAGE" />
  <metadata name="siesta:StartTime" content="2023-01-19T14-43-42" />
  <metadata name="siesta:run_UUID"
   content="1ae61b60-9810-11ed-536d-738587f7c6c5" />
  <metadata name="siesta:Mode" content="Parallel" />
  <metadata name="siesta:Nodes" content="        12" />
  <metadata name="siesta:NetCDF" content="true" />
 </metadataList>
 <module title="Initial System">
  <molecule>
   <atomArray>
    <atom elementType="Ge" id="a1" ref="siesta:e001"
     x3="    1.13306569                               "
     y3="    6.08759068                               "
     z3="    1.49572114                               " />
    <atom elementType="Ge" id="a2" ref="siesta:e001"
     x3="    8.01257546                               "
     y3="    2.10731543                               "
     z3="    1.47086922                               " />
    <atom elementType="Ge" id="a3" ref="siesta:e001"
     x3="    3.39198286                               "
     y3="    2.12488785                               "
     z3="    0.75483127                               " />
    <atom elementType="Ge" id="a4" ref="siesta:e001"
     x3="   10.39132532                               "
     y3="   -1.88312730                               "
     z3="    0.74993955                               " />
    <atom elementType="Ge" id="a5" ref="siesta:e001"
     x3="    0.00337891                               "
     y3="    7.95131558                               "
     z3="    0.09494128                               " />
    <atom elementType="Ge" id="a6" ref="siesta:e001"
     x3="    3.31967651                               "
     y3="    6.10982121                               "
     z3="    0.08923652                               " />
    <atom elementType="Ge" id="a7" ref="siesta:e001"
     x3="    0.00882013                               "
     y3="    4.22697222                               "
     z3="    0.09233780                               " />
    <atom elementType="Ge" id="a8" ref="siesta:e001"
     x3="    6.90512463                               "
     y3="    4.03941459                               "
     z3="    0.11068118                               " />
    <atom elementType="Ge" id="a9" ref="siesta:e001"
     x3="   10.12892225                               "
     y3="    2.09828939                               "
     z3="    0.01982515                               " />
    <atom elementType="Ge" id="a10" ref="siesta:e001"
     x3="    6.91142637                               "
     y3="    0.20933071                               "
     z3="    0.08871520                               " />
    <atom elementType="Ge" id="a11" ref="siesta:e001"
     x3="    1.14935031                               "
     y3="    6.09263126                               "
     z3="   -1.10667922                               " />
    <atom elementType="Ge" id="a12" ref="siesta:e001"
     x3="    4.48108807                               "
     y3="    3.98821416                               "
     z3="   -0.45343168                               " />
    <atom elementType="Ge" id="a13" ref="siesta:e001"
     x3="    1.21577368                               "
     y3="    2.10390483                               "
     z3="   -0.43584764                               " />
    <atom elementType="Ge" id="a14" ref="siesta:e001"
     x3="    4.48665942                               "
     y3="    0.26019904                               "
     z3="   -0.44362379                               " />
    <atom elementType="Ge" id="a15" ref="siesta:e001"
     x3="    7.91426016                               "
     y3="    2.13518745                               "
     z3="   -1.12392987                               " />
    <atom elementType="Ge" id="a16" ref="siesta:e001"
     x3="   11.39363865                               "
     y3="    0.04219222                               "
     z3="   -0.46457712                               " />
    <atom elementType="Ge" id="a17" ref="siesta:e001"
     x3="    8.20966044                               "
     y3="   -1.86593836                               "
     z3="   -0.45120560                               " />
    <atom elementType="Ge" id="a18" ref="siesta:e001"
     x3="   11.38880541                               "
     y3="   -3.81489318                               "
     z3="   -0.46405942                               " />
    <atom elementType="Ge" id="a19" ref="siesta:e001"
     x3="    1.11958328                               "
     y3="    6.08709717                               "
     z3="   -3.50473462                               " />
    <atom elementType="Ge" id="a20" ref="siesta:e001"
     x3="    4.57569976                               "
     y3="    4.08741696                               "
     z3="   -2.96380295                               " />
    <atom elementType="Ge" id="a21" ref="siesta:e001"
     x3="    1.14769939                               "
     y3="    2.10740060                               "
     z3="   -2.95202552                               " />
    <atom elementType="Ge" id="a22" ref="siesta:e001"
     x3="    4.56895551                               "
     y3="    0.11538619                               "
     z3="   -2.95583797                               " />
    <atom elementType="Ge" id="a23" ref="siesta:e001"
     x3="    8.03365765                               "
     y3="    2.10169048                               "
     z3="   -3.51821050                               " />
    <atom elementType="Ge" id="a24" ref="siesta:e001"
     x3="   11.46999843                               "
     y3="    0.11047118                               "
     z3="   -2.97588333                               " />
    <atom elementType="Ge" id="a25" ref="siesta:e001"
     x3="    8.05270639                               "
     y3="   -1.87905483                               "
     z3="   -2.96075119                               " />
    <atom elementType="Ge" id="a26" ref="siesta:e001"
     x3="   11.47286399                               "
     y3="   -3.87640640                               "
     z3="   -2.97359825                               " />
    <atom elementType="Ge" id="a27" ref="siesta:e001"
     x3="    1.10440000                               "
     y3="    2.10020000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a28" ref="siesta:e001"
     x3="   -1.19976181                               "
     y3="    2.10071383                               "
     z3="   -9.59034803                               " />
    <atom elementType="Ge" id="a29" ref="siesta:e001"
     x3="   -1.21487822                               "
     y3="    2.10226505                               "
     z3="   -7.17848301                               " />
    <atom elementType="Ge" id="a30" ref="siesta:e001"
     x3="   -0.04487390                               "
     y3="    4.06413862                               "
     z3="   -6.35056732                               " />
    <atom elementType="Ge" id="a31" ref="siesta:e001"
     x3="   -0.07085792                               "
     y3="    4.01405071                               "
     z3="   -3.91155619                               " />
    <atom elementType="Ge" id="a32" ref="siesta:e001"
     x3="    4.55570000                               "
     y3="    0.10760000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a33" ref="siesta:e001"
     x3="    2.25671427                               "
     y3="    0.10850355                               "
     z3="   -9.56325335                               " />
    <atom elementType="Ge" id="a34" ref="siesta:e001"
     x3="    2.26873007                               "
     y3="    0.11424828                               "
     z3="   -7.12928279                               " />
    <atom elementType="Ge" id="a35" ref="siesta:e001"
     x3="    3.41826958                               "
     y3="    2.10241582                               "
     z3="   -6.28508324                               " />
    <atom elementType="Ge" id="a36" ref="siesta:e001"
     x3="    3.43346061                               "
     y3="    2.10079748                               "
     z3="   -3.83523804                               " />
    <atom elementType="Ge" id="a37" ref="siesta:e001"
     x3="    8.00710000                               "
     y3="   -1.88500000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a38" ref="siesta:e001"
     x3="    5.70875243                               "
     y3="   -1.88528603                               "
     z3="   -9.61668791                               " />
    <atom elementType="Ge" id="a39" ref="siesta:e001"
     x3="    5.71919052                               "
     y3="   -1.88092904                               "
     z3="   -7.21614802                               " />
    <atom elementType="Ge" id="a40" ref="siesta:e001"
     x3="    6.85490939                               "
     y3="    0.08303024                               "
     z3="   -6.34971767                               " />
    <atom elementType="Ge" id="a41" ref="siesta:e001"
     x3="    6.83123037                               "
     y3="    0.02933439                               "
     z3="   -3.90841386                               " />
    <atom elementType="Ge" id="a42" ref="siesta:e001"
     x3="   11.45840000                               "
     y3="   -3.87770000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a43" ref="siesta:e001"
     x3="    9.15882270                               "
     y3="   -3.87651107                               "
     z3="   -9.56654665                               " />
    <atom elementType="Ge" id="a44" ref="siesta:e001"
     x3="    9.17044904                               "
     y3="   -3.87345496                               "
     z3="   -7.13499557                               " />
    <atom elementType="Ge" id="a45" ref="siesta:e001"
     x3="   10.31535561                               "
     y3="   -1.88414076                               "
     z3="   -6.29228547                               " />
    <atom elementType="Ge" id="a46" ref="siesta:e001"
     x3="   10.33564073                               "
     y3="   -1.88447758                               "
     z3="   -3.84303241                               " />
    <atom elementType="Ge" id="a47" ref="siesta:e001"
     x3="    1.10440000                               "
     y3="    6.08550000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a48" ref="siesta:e001"
     x3="   -1.18979553                               "
     y3="    6.08626008                               "
     z3="   -9.57864241                               " />
    <atom elementType="Ge" id="a49" ref="siesta:e001"
     x3="   -1.15502001                               "
     y3="    6.08887260                               "
     z3="   -7.15718833                               " />
    <atom elementType="Ge" id="a50" ref="siesta:e001"
     x3="   -0.04562788                               "
     y3="    8.11352895                               "
     z3="   -6.34466822                               " />
    <atom elementType="Ge" id="a51" ref="siesta:e001"
     x3="   -0.06493808                               "
     y3="    8.16584663                               "
     z3="   -3.90349302                               " />
    <atom elementType="Ge" id="a52" ref="siesta:e001"
     x3="    4.55570000                               "
     y3="    4.09280000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a53" ref="siesta:e001"
     x3="    2.25680395                               "
     y3="    4.09220944                               "
     z3="   -9.56386444                               " />
    <atom elementType="Ge" id="a54" ref="siesta:e001"
     x3="    2.27135510                               "
     y3="    4.08937498                               "
     z3="   -7.13029135                               " />
    <atom elementType="Ge" id="a55" ref="siesta:e001"
     x3="    3.45094910                               "
     y3="    6.08823445                               "
     z3="   -6.35622820                               " />
    <atom elementType="Ge" id="a56" ref="siesta:e001"
     x3="    3.51006126                               "
     y3="    6.08576575                               "
     z3="   -3.91608637                               " />
    <atom elementType="Ge" id="a57" ref="siesta:e001"
     x3="    8.00710000                               "
     y3="    2.10020000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a58" ref="siesta:e001"
     x3="    5.70700043                               "
     y3="    2.10049961                               "
     z3="   -9.56082248                               " />
    <atom elementType="Ge" id="a59" ref="siesta:e001"
     x3="    5.71173194                               "
     y3="    2.10269411                               "
     z3="   -7.12468596                               " />
    <atom elementType="Ge" id="a60" ref="siesta:e001"
     x3="    6.85408974                               "
     y3="    4.12461750                               "
     z3="   -6.35211278                               " />
    <atom elementType="Ge" id="a61" ref="siesta:e001"
     x3="    6.84020594                               "
     y3="    4.18121724                               "
     z3="   -3.91151767                               " />
    <atom elementType="Ge" id="a62" ref="siesta:e001"
     x3="   11.45840000                               "
     y3="    0.10760000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a63" ref="siesta:e001"
     x3="    9.15857387                               "
     y3="    0.10645483                               "
     z3="   -9.56568932                               " />
    <atom elementType="Ge" id="a64" ref="siesta:e001"
     x3="    9.17133540                               "
     y3="    0.10531654                               "
     z3="   -7.13362360                               " />
    <atom elementType="Ge" id="a65" ref="siesta:e001"
     x3="   10.35606937                               "
     y3="    2.10215590                               "
     z3="   -6.36426397                               " />
    <atom elementType="Ge" id="a66" ref="siesta:e001"
     x3="   10.41674061                               "
     y3="    2.10316115                               "
     z3="   -3.93505491                               " />
    <atom elementType="H" id="a67" ref="siesta:e002"
     x3="    1.10440000                               "
     y3="    2.10020000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a68" ref="siesta:e002"
     x3="    4.55570000                               "
     y3="    0.10760000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a69" ref="siesta:e002"
     x3="    8.00710000                               "
     y3="   -1.88500000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a70" ref="siesta:e002"
     x3="   11.45890000                               "
     y3="   -3.87770000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a71" ref="siesta:e002"
     x3="    1.10430000                               "
     y3="    6.08520000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a72" ref="siesta:e002"
     x3="    4.55560000                               "
     y3="    4.09260000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a73" ref="siesta:e002"
     x3="    8.00690000                               "
     y3="    2.10000000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a74" ref="siesta:e002"
     x3="   11.45890000                               "
     y3="    0.10760000                               "
     z3="  -11.89330000                               " />
   </atomArray>
  </molecule>
  <lattice dictRef="siesta:ucell">
   <latticeVector units="siestaUnits:angstrom" dictRef="cml:latticeVector">
  2.608829491834E+01 -7.531043586550E+00  0.000000000000E+00

   </latticeVector>
   <latticeVector units="siestaUnits:angstrom" dictRef="cml:latticeVector">
  0.000000000000E+00  1.506208717310E+01  0.000000000000E+00

   </latticeVector>
   <latticeVector units="siestaUnits:angstrom" dictRef="cml:latticeVector">
  0.000000000000E+00  0.000000000000E+00  9.585450614823E+01

   </latticeVector>
  </lattice>
  <property dictRef="siesta:shape">
   <scalar>slab
   </scalar>
  </property>
 </module>
 <parameterList title="Input Parameters">
  <parameter name="SystemName" dictRef="siesta:sname">
   <scalar dataType="xsd:string">Slab Ge(111)-c(2x8
   </scalar>
  </parameter>
  <parameter name="SystemLabel" dictRef="siesta:slabel">
   <scalar dataType="xsd:string">ge111
   </scalar>
  </parameter>
  <parameter name="LongOutput" dictRef="siesta:verbosity">
   <scalar dataType="xsd:boolean">false
   </scalar>
  </parameter>
  <parameter title="NumberOfSpecies" dictRef="siesta:ns">
   <scalar dataType="xsd:integer" units="cmlUnits:countable">2
   </scalar>
  </parameter>
  <parameter name="WriteDenChar">
   <scalar dataType="xsd:boolean">false
   </scalar>
  </parameter>
  <parameter name="WriteMullikenPop">
   <scalar dataType="xsd:integer" units="cmlUnits:dimensionless">0
   </scalar>
  </parameter>
  <parameter name="MatelNRTAB" dictRef="siesta:matel_nrtab">
   <scalar dataType="xsd:integer" units="cmlUnits:countable">1024
   </scalar>
  </parameter>
  <parameter name="MeshCutOff" dictRef="siesta:g2max">
   <scalar dataType="xsd:double" units="siestaUnits:Ry">200.000000000                                                                                       
   </scalar>
  </parameter>
  <parameter name="NetCharge" dictRef="siesta:NetCharge">
   <scalar dataType="xsd:double" units="siestaUnits:e__">0.00000000000                                                                                       
   </scalar>
  </parameter>
  <parameter name="MaxSCFIterations" dictRef="siesta:maxscf">
   <scalar dataType="xsd:integer" units="cmlUnits:countable">1000
   </scalar>
  </parameter>
  <parameter name="MinSCFIterations" dictRef="siesta:minscf">
   <scalar dataType="xsd:integer" units="cmlUnits:countable">0
   </scalar>
  </parameter>
  <parameter name="DM.NumberPulay" dictRef="siesta:maxsav">
   <scalar dataType="xsd:integer" units="cmlUnits:countable">3
   </scalar>
  </parameter>
  <parameter name="DM.NumberBroyden" dictRef="siesta:broyden_maxit">
   <scalar dataType="xsd:integer" units="cmlUnits:countable">0
   </scalar>
  </parameter>
  <parameter name="DM.MixSCF1" dictRef="siesta:mix">
   <scalar dataType="xsd:boolean">true
   </scalar>
  </parameter>
  <parameter name="DM.PulayOnFile" dictRef="siesta:pulfile">
   <scalar dataType="xsd:boolean">false
   </scalar>
  </parameter>
  <parameter name="DM.MixingWeight" dictRef="siesta:wmix">
   <scalar dataType="xsd:double" units="cmlUnits:dimensionless">0.250000000000                                                                                      
   </scalar>
  </parameter>
  <parameter name="DM.OccupancyTolerance" dictRef="siesta:occtol">
   <scalar dataType="xsd:double" units="cmlUnits:dimensionless">
   0.100000000000E-11                                                                                  
   </scalar>
  </parameter>
  <parameter name="DM.NumberKick" dictRef="siesta:nkick">
   <scalar dataType="xsd:integer" units="cmlUnits:countable">15
   </scalar>
  </parameter>
  <parameter name="DM.KickMixingWeight" dictRef="siesta:wmixkick">
   <scalar dataType="xsd:double" units="cmlUnits:dimensionless">0.500000000000                                                                                      
   </scalar>
  </parameter>
  <parameter name="SCF.Harris.Converge" dictRef="siesta:ReqHarrisConv">
   <scalar dataType="xsd:boolean">false
   </scalar>
  </parameter>
  <parameter name="SCF.Harris.Tolerance" dictRef="siesta:Harris_tolerance">
   <scalar dataType="xsd:double" units="siestaUnits:eV">0.100000000000E-03                                                                                  
   </scalar>
  </parameter>
  <parameter name="SCF.DM.Converge" dictRef="siesta:ReqDMConv">
   <scalar dataType="xsd:boolean">true
   </scalar>
  </parameter>
  <parameter name="SCF.DM.Tolerance" dictRef="siesta:dDtol">
   <scalar dataType="xsd:double" units="siestaUnits:eAng_3">0.100000000000E-03                                                                                  
   </scalar>
  </parameter>
  <parameter name="SCF.EDM.Converge" dictRef="siesta:ReqEDMConv">
   <scalar dataType="xsd:boolean">false
   </scalar>
  </parameter>
  <parameter name="SCF.EDM.Tolerance" dictRef="siesta:EDM_tolerance">
   <scalar dataType="xsd:double" units="siestaUnits:eVeAng_3">
   0.100000000000E-02                                                                                  
   </scalar>
  </parameter>
  <parameter name="SCF.H.Converge" dictRef="siesta:ReqHConv">
   <scalar dataType="xsd:boolean">true
   </scalar>
  </parameter>
  <parameter name="SCF.H.Tolerance" dictRef="siesta:dHtol">
   <scalar dataType="xsd:double" units="siestaUnits:eV">0.100000000000E-02                                                                                  
   </scalar>
  </parameter>
  <parameter name="SCF.FreeE.Converge" dictRef="siesta:ReqEnergyConv">
   <scalar dataType="xsd:boolean">false
   </scalar>
  </parameter>
  <parameter name="SCF.FreeE.Tolerance" dictRef="siesta:dEtol">
   <scalar dataType="xsd:double" units="siestaUnits:eV">0.100000000000E-03                                                                                  
   </scalar>
  </parameter>
  <parameter name="DM.UseSaveDM" dictRef="siesta:usesavedm">
   <scalar dataType="xsd:boolean">false
   </scalar>
  </parameter>
  <parameter name="NeglNonOverlapInt" dictRef="siesta:negl">
   <scalar dataType="xsd:boolean">false
   </scalar>
  </parameter>
  <parameter name="SolutionMethod" dictRef="siesta:SCFmethod">
   <scalar dataType="xsd:string">diagon
   </scalar>
  </parameter>
  <parameter name="ElectronicTemperature" dictRef="siesta:etemp">
   <scalar dataType="xsd:double" units="siestaUnits:Ry">0.190000000000E-02                                                                                  
   </scalar>
  </parameter>
  <parameter name="FixSpin" dictRef="siesta:fixspin">
   <scalar dataType="xsd:boolean">false
   </scalar>
  </parameter>
  <parameter name="TotalSpin" dictRef="siesta:totalspin">
   <scalar dataType="xsd:double" units="siestaUnits:eSpin">0.00000000000                                                                                       
   </scalar>
  </parameter>
  <parameter name="MD.TypeOfRun">
   <scalar dataType="xsd:string">Single-Point
   </scalar>
  </parameter>
  <parameter name="MD.BulkModulus">
   <scalar dataType="xsd:double" units="siestaUnits:Ry_Bohr__3">
   0.679773000000E-02                                                                                  
   </scalar>
  </parameter>
 </parameterList>
 <propertyList title="k-points" dictRef="siesta:kpoints">
  <property dictRef="siesta:nkpnt">
   <scalar dataType="xsd:integer" units="cmlUnits:countable">6
   </scalar>
  </property>
  <kpoint coords=" -0.06522833  0.05214405  0.00000000" weight="  0.16666667" />
  <kpoint coords=" -0.03512295  0.15643214  0.00000000" weight="  0.16666667" />
  <kpoint coords="  0.01505269  0.05214405  0.00000000" weight="  0.16666667" />
  <kpoint coords="  0.04515808  0.15643214  0.00000000" weight="  0.16666667" />
  <kpoint coords="  0.09533372  0.05214405  0.00000000" weight="  0.16666667" />
  <kpoint coords="  0.12543910  0.15643214  0.00000000" weight="  0.16666667" />
  <property dictRef="siesta:kcutof">
   <scalar dataType="xsd:double" units="siestaUnits:angstrom">15.9410202080                                                                                       
   </scalar>
  </property>
 </propertyList>
 <property dictRef="siesta:kscell">
 <!--In matrix, row (first) index is fastest-->
  <matrix units="siestaUnits:Ang" columns="3" rows="3" dataType="xsd:integer">
           0           4           0
           3           0           0
           0           0           1

  </matrix>
 </property>
 <property dictRef="siesta:kdispl">
  <array units="siestaUnits:Ang" size="3" dataType="xsd:double">
  5.000000000000E-01  0.000000000000E+00  0.000000000000E+00

  </array>
 </property>
 <module dictRef="Single-Point" role="step" serial="1">
  <molecule>
   <atomArray>
    <atom elementType="Ge" id="a1" ref="siesta:e001"
     x3="    1.13306569                               "
     y3="    6.08759068                               "
     z3="    1.49572114                               " />
    <atom elementType="Ge" id="a2" ref="siesta:e001"
     x3="    8.01257546                               "
     y3="    2.10731543                               "
     z3="    1.47086922                               " />
    <atom elementType="Ge" id="a3" ref="siesta:e001"
     x3="    3.39198286                               "
     y3="    2.12488785                               "
     z3="    0.75483127                               " />
    <atom elementType="Ge" id="a4" ref="siesta:e001"
     x3="   10.39132532                               "
     y3="   -1.88312730                               "
     z3="    0.74993955                               " />
    <atom elementType="Ge" id="a5" ref="siesta:e001"
     x3="    0.00337891                               "
     y3="    7.95131558                               "
     z3="    0.09494128                               " />
    <atom elementType="Ge" id="a6" ref="siesta:e001"
     x3="    3.31967651                               "
     y3="    6.10982121                               "
     z3="    0.08923652                               " />
    <atom elementType="Ge" id="a7" ref="siesta:e001"
     x3="    0.00882013                               "
     y3="    4.22697222                               "
     z3="    0.09233780                               " />
    <atom elementType="Ge" id="a8" ref="siesta:e001"
     x3="    6.90512463                               "
     y3="    4.03941459                               "
     z3="    0.11068118                               " />
    <atom elementType="Ge" id="a9" ref="siesta:e001"
     x3="   10.12892225                               "
     y3="    2.09828939                               "
     z3="    0.01982515                               " />
    <atom elementType="Ge" id="a10" ref="siesta:e001"
     x3="    6.91142637                               "
     y3="    0.20933071                               "
     z3="    0.08871520                               " />
    <atom elementType="Ge" id="a11" ref="siesta:e001"
     x3="    1.14935031                               "
     y3="    6.09263126                               "
     z3="   -1.10667922                               " />
    <atom elementType="Ge" id="a12" ref="siesta:e001"
     x3="    4.48108807                               "
     y3="    3.98821416                               "
     z3="   -0.45343168                               " />
    <atom elementType="Ge" id="a13" ref="siesta:e001"
     x3="    1.21577368                               "
     y3="    2.10390483                               "
     z3="   -0.43584764                               " />
    <atom elementType="Ge" id="a14" ref="siesta:e001"
     x3="    4.48665942                               "
     y3="    0.26019904                               "
     z3="   -0.44362379                               " />
    <atom elementType="Ge" id="a15" ref="siesta:e001"
     x3="    7.91426016                               "
     y3="    2.13518745                               "
     z3="   -1.12392987                               " />
    <atom elementType="Ge" id="a16" ref="siesta:e001"
     x3="   11.39363865                               "
     y3="    0.04219222                               "
     z3="   -0.46457712                               " />
    <atom elementType="Ge" id="a17" ref="siesta:e001"
     x3="    8.20966044                               "
     y3="   -1.86593836                               "
     z3="   -0.45120560                               " />
    <atom elementType="Ge" id="a18" ref="siesta:e001"
     x3="   11.38880541                               "
     y3="   -3.81489318                               "
     z3="   -0.46405942                               " />
    <atom elementType="Ge" id="a19" ref="siesta:e001"
     x3="    1.11958328                               "
     y3="    6.08709717                               "
     z3="   -3.50473462                               " />
    <atom elementType="Ge" id="a20" ref="siesta:e001"
     x3="    4.57569976                               "
     y3="    4.08741696                               "
     z3="   -2.96380295                               " />
    <atom elementType="Ge" id="a21" ref="siesta:e001"
     x3="    1.14769939                               "
     y3="    2.10740060                               "
     z3="   -2.95202552                               " />
    <atom elementType="Ge" id="a22" ref="siesta:e001"
     x3="    4.56895551                               "
     y3="    0.11538619                               "
     z3="   -2.95583797                               " />
    <atom elementType="Ge" id="a23" ref="siesta:e001"
     x3="    8.03365765                               "
     y3="    2.10169048                               "
     z3="   -3.51821050                               " />
    <atom elementType="Ge" id="a24" ref="siesta:e001"
     x3="   11.46999843                               "
     y3="    0.11047118                               "
     z3="   -2.97588333                               " />
    <atom elementType="Ge" id="a25" ref="siesta:e001"
     x3="    8.05270639                               "
     y3="   -1.87905483                               "
     z3="   -2.96075119                               " />
    <atom elementType="Ge" id="a26" ref="siesta:e001"
     x3="   11.47286399                               "
     y3="   -3.87640640                               "
     z3="   -2.97359825                               " />
    <atom elementType="Ge" id="a27" ref="siesta:e001"
     x3="    1.10440000                               "
     y3="    2.10020000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a28" ref="siesta:e001"
     x3="   -1.19976181                               "
     y3="    2.10071383                               "
     z3="   -9.59034803                               " />
    <atom elementType="Ge" id="a29" ref="siesta:e001"
     x3="   -1.21487822                               "
     y3="    2.10226505                               "
     z3="   -7.17848301                               " />
    <atom elementType="Ge" id="a30" ref="siesta:e001"
     x3="   -0.04487390                               "
     y3="    4.06413862                               "
     z3="   -6.35056732                               " />
    <atom elementType="Ge" id="a31" ref="siesta:e001"
     x3="   -0.07085792                               "
     y3="    4.01405071                               "
     z3="   -3.91155619                               " />
    <atom elementType="Ge" id="a32" ref="siesta:e001"
     x3="    4.55570000                               "
     y3="    0.10760000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a33" ref="siesta:e001"
     x3="    2.25671427                               "
     y3="    0.10850355                               "
     z3="   -9.56325335                               " />
    <atom elementType="Ge" id="a34" ref="siesta:e001"
     x3="    2.26873007                               "
     y3="    0.11424828                               "
     z3="   -7.12928279                               " />
    <atom elementType="Ge" id="a35" ref="siesta:e001"
     x3="    3.41826958                               "
     y3="    2.10241582                               "
     z3="   -6.28508324                               " />
    <atom elementType="Ge" id="a36" ref="siesta:e001"
     x3="    3.43346061                               "
     y3="    2.10079748                               "
     z3="   -3.83523804                               " />
    <atom elementType="Ge" id="a37" ref="siesta:e001"
     x3="    8.00710000                               "
     y3="   -1.88500000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a38" ref="siesta:e001"
     x3="    5.70875243                               "
     y3="   -1.88528603                               "
     z3="   -9.61668791                               " />
    <atom elementType="Ge" id="a39" ref="siesta:e001"
     x3="    5.71919052                               "
     y3="   -1.88092904                               "
     z3="   -7.21614802                               " />
    <atom elementType="Ge" id="a40" ref="siesta:e001"
     x3="    6.85490939                               "
     y3="    0.08303024                               "
     z3="   -6.34971767                               " />
    <atom elementType="Ge" id="a41" ref="siesta:e001"
     x3="    6.83123037                               "
     y3="    0.02933439                               "
     z3="   -3.90841386                               " />
    <atom elementType="Ge" id="a42" ref="siesta:e001"
     x3="   11.45840000                               "
     y3="   -3.87770000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a43" ref="siesta:e001"
     x3="    9.15882270                               "
     y3="   -3.87651107                               "
     z3="   -9.56654665                               " />
    <atom elementType="Ge" id="a44" ref="siesta:e001"
     x3="    9.17044904                               "
     y3="   -3.87345496                               "
     z3="   -7.13499557                               " />
    <atom elementType="Ge" id="a45" ref="siesta:e001"
     x3="   10.31535561                               "
     y3="   -1.88414076                               "
     z3="   -6.29228547                               " />
    <atom elementType="Ge" id="a46" ref="siesta:e001"
     x3="   10.33564073                               "
     y3="   -1.88447758                               "
     z3="   -3.84303241                               " />
    <atom elementType="Ge" id="a47" ref="siesta:e001"
     x3="    1.10440000                               "
     y3="    6.08550000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a48" ref="siesta:e001"
     x3="   -1.18979553                               "
     y3="    6.08626008                               "
     z3="   -9.57864241                               " />
    <atom elementType="Ge" id="a49" ref="siesta:e001"
     x3="   -1.15502001                               "
     y3="    6.08887260                               "
     z3="   -7.15718833                               " />
    <atom elementType="Ge" id="a50" ref="siesta:e001"
     x3="   -0.04562788                               "
     y3="    8.11352895                               "
     z3="   -6.34466822                               " />
    <atom elementType="Ge" id="a51" ref="siesta:e001"
     x3="   -0.06493808                               "
     y3="    8.16584663                               "
     z3="   -3.90349302                               " />
    <atom elementType="Ge" id="a52" ref="siesta:e001"
     x3="    4.55570000                               "
     y3="    4.09280000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a53" ref="siesta:e001"
     x3="    2.25680395                               "
     y3="    4.09220944                               "
     z3="   -9.56386444                               " />
    <atom elementType="Ge" id="a54" ref="siesta:e001"
     x3="    2.27135510                               "
     y3="    4.08937498                               "
     z3="   -7.13029135                               " />
    <atom elementType="Ge" id="a55" ref="siesta:e001"
     x3="    3.45094910                               "
     y3="    6.08823445                               "
     z3="   -6.35622820                               " />
    <atom elementType="Ge" id="a56" ref="siesta:e001"
     x3="    3.51006126                               "
     y3="    6.08576575                               "
     z3="   -3.91608637                               " />
    <atom elementType="Ge" id="a57" ref="siesta:e001"
     x3="    8.00710000                               "
     y3="    2.10020000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a58" ref="siesta:e001"
     x3="    5.70700043                               "
     y3="    2.10049961                               "
     z3="   -9.56082248                               " />
    <atom elementType="Ge" id="a59" ref="siesta:e001"
     x3="    5.71173194                               "
     y3="    2.10269411                               "
     z3="   -7.12468596                               " />
    <atom elementType="Ge" id="a60" ref="siesta:e001"
     x3="    6.85408974                               "
     y3="    4.12461750                               "
     z3="   -6.35211278                               " />
    <atom elementType="Ge" id="a61" ref="siesta:e001"
     x3="    6.84020594                               "
     y3="    4.18121724                               "
     z3="   -3.91151767                               " />
    <atom elementType="Ge" id="a62" ref="siesta:e001"
     x3="   11.45840000                               "
     y3="    0.10760000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a63" ref="siesta:e001"
     x3="    9.15857387                               "
     y3="    0.10645483                               "
     z3="   -9.56568932                               " />
    <atom elementType="Ge" id="a64" ref="siesta:e001"
     x3="    9.17133540                               "
     y3="    0.10531654                               "
     z3="   -7.13362360                               " />
    <atom elementType="Ge" id="a65" ref="siesta:e001"
     x3="   10.35606937                               "
     y3="    2.10215590                               "
     z3="   -6.36426397                               " />
    <atom elementType="Ge" id="a66" ref="siesta:e001"
     x3="   10.41674061                               "
     y3="    2.10316115                               "
     z3="   -3.93505491                               " />
    <atom elementType="H" id="a67" ref="siesta:e002"
     x3="    1.10440000                               "
     y3="    2.10020000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a68" ref="siesta:e002"
     x3="    4.55570000                               "
     y3="    0.10760000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a69" ref="siesta:e002"
     x3="    8.00710000                               "
     y3="   -1.88500000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a70" ref="siesta:e002"
     x3="   11.45890000                               "
     y3="   -3.87770000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a71" ref="siesta:e002"
     x3="    1.10430000                               "
     y3="    6.08520000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a72" ref="siesta:e002"
     x3="    4.55560000                               "
     y3="    4.09260000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a73" ref="siesta:e002"
     x3="    8.00690000                               "
     y3="    2.10000000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a74" ref="siesta:e002"
     x3="   11.45890000                               "
     y3="    0.10760000                               "
     z3="  -11.89330000                               " />
   </atomArray>
  </molecule>
  <lattice dictRef="siesta:ucell">
   <latticeVector units="siestaUnits:Ang" dictRef="cml:latticeVector">
  1.380532564000E+01 -3.985255052000E+00  0.000000000000E+00

   </latticeVector>
   <latticeVector units="siestaUnits:Ang" dictRef="cml:latticeVector">
  0.000000000000E+00  7.970510104000E+00  0.000000000000E+00

   </latticeVector>
   <latticeVector units="siestaUnits:Ang" dictRef="cml:latticeVector">
  0.000000000000E+00  0.000000000000E+00  5.072400000000E+01

   </latticeVector>
  </lattice>
  <crystal title="Lattice Parameters">
   <scalar title="a" dictRef="cml:a" units="units:angstrom                ">
   14.369039                                                                                           
   </scalar>
   <scalar title="b" dictRef="cml:b" units="units:angstrom                ">
   7.970510                                                                                            
   </scalar>
   <scalar title="c" dictRef="cml:c" units="units:angstrom                ">
   50.724000                                                                                           
   </scalar>
   <scalar title="alpha" dictRef="cml:alpha"
    units="units:degree                  ">106.102117                                                                                          
   </scalar>
   <scalar title="beta" dictRef="cml:beta"
    units="units:degree                  ">90.000000                                                                                           
   </scalar>
   <scalar title="gamma" dictRef="cml:gamma"
    units="units:degree                  ">90.000000                                                                                           
   </scalar>
  </crystal>
  <propertyList title="Orbital info">
   <property title="Number of orbitals in unit cell" dictRef="siesta:no_u">
    <scalar dataType="xsd:integer" units="cmlUnits:countable">866
    </scalar>
   </property>
   <property title="Number of non-zeros" dictRef="siesta:nnz">
    <scalar dataType="xsd:integer" units="cmlUnits:countable">955154
    </scalar>
   </property>
  </propertyList>
  <propertyList>
   <property title="Mesh" dictRef="siesta:ntm">
    <array units="cmlUnits:countable" size="3" dataType="xsd:integer">
         120          72         432

    </array>
   </property>
   <property title="Requested Cut-Off" dictRef="siesta:g2max">
    <scalar dataType="xsd:double" units="siestaUnits:Ry">200.000000000                                                                                       
    </scalar>
   </property>
   <property title="Actual Cut-Off" dictRef="siesta:g2mesh">
    <scalar dataType="xsd:double" units="siestaUnits:Ry">200.466667564                                                                                       
    </scalar>
   </property>
  </propertyList>
  <module dictRef="SCF" role="step" serial="1">
   <propertyList title="Energy Decomposition">
    <property dictRef="siesta:Ebs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-2546.328545                                                                                        
     </scalar>
    </property>
    <property dictRef="siesta:Eions">
     <scalar dataType="xsd:double" units="siestaUnits:eV">8953.109052                                                                                         
     </scalar>
    </property>
    <property dictRef="siesta:Ena">
     <scalar dataType="xsd:double" units="siestaUnits:eV">1004.705327                                                                                         
     </scalar>
    </property>
    <property dictRef="siesta:Ekin">
     <scalar dataType="xsd:double" units="siestaUnits:eV">2620.789113                                                                                         
     </scalar>
    </property>
    <property dictRef="siesta:Enl">
     <scalar dataType="xsd:double" units="siestaUnits:eV">488.829468                                                                                          
     </scalar>
    </property>
    <property dictRef="siesta:Eldau">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
     </scalar>
    </property>
    <property dictRef="siesta:DEna">
     <scalar dataType="xsd:double" units="siestaUnits:eV">90.060156                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Eso">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
     </scalar>
    </property>
    <property dictRef="siesta:DUscf">
     <scalar dataType="xsd:double" units="siestaUnits:eV">9.224527                                                                                            
     </scalar>
    </property>
    <property dictRef="siesta:DUext">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
     </scalar>
    </property>
    <property dictRef="siesta:Enegf">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
     </scalar>
    </property>
    <property dictRef="siesta:Exc">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-5189.853494                                                                                        
     </scalar>
    </property>
    <property dictRef="siesta:Ecorrec">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
     </scalar>
    </property>
    <property dictRef="siesta:Emad">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
     </scalar>
    </property>
    <property dictRef="siesta:Emeta">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
     </scalar>
    </property>
    <property dictRef="siesta:Emm">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
     </scalar>
    </property>
    <property dictRef="siesta:Ekinion">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
     </scalar>
    </property>
    <property dictRef="siesta:EharrsK">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9963.172213                                                                                        
     </scalar>
    </property>
    <property dictRef="siesta:EtotK">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9929.353955                                                                                        
     </scalar>
    </property>
    <property dictRef="siesta:FreeEK">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9929.354262                                                                                        
     </scalar>
    </property>
   </propertyList>
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9963.1722126                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">1.4597531                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">3.3797287                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9929.3539553                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9929.3542624                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.9092620                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="2">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9926.1642337                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.1158556                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">3.6649327                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9929.2255407                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9929.2257567                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.6923051                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="3">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5265548                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0434872                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.3959877                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.4625122                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.4630853                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8117928                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="4">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5426118                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0188423                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.3359964                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5117518                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5123609                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8343464                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="5">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5593607                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0084476                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.1888594                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5387393                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5395075                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8337181                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="6">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5643501                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0107325                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.1276531                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5532018                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5541167                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8505126                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="7">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5485151                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0025921                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.1070225                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5518267                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5526751                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8429697                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="8">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5660805                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0084940                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.0334922                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5594873                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604839                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8544409                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="9">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604919                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0047204                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.0327245                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5601524                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5612328                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8614668                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="10">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5603360                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0029630                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.0083401                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5603250                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5613661                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8570025                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="11">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5605184                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0004710                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.0031270                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604205                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5614808                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8575994                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="12">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604406                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0002297                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.0045334                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604323                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5614996                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8568616                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="13">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604262                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0001139                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.0014693                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604320                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5614966                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8571204                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="14">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604384                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0001002                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.0008148                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604343                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5615023                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8568761                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="15">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604340                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0000420                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.0010333                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604343                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5615041                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8567125                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="16">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604330                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0000658                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.0023845                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604341                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5615045                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8568361                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module dictRef="SCF" role="step" serial="17">
   <propertyList title="SCF Cycle">
    <property dictRef="siesta:Eharrs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604338                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:dDmax">
     <scalar dataType="xsd:double" units="siestaUnits:none">0.0000665                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:dHmax">
     <scalar dataType="xsd:double" units="siestaUnits:eV">0.0005060                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:Etot">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604343                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5615030                                                                                       
     </scalar>
    </property>
    <property dictRef="siesta:Ef">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.8568172                                                                                          
     </scalar>
    </property>
   </propertyList>
  </module>
  <module title="SCF Finalization">
   <propertyList title="Energies and spin">
    <property dictRef="siesta:E_KS">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.560434                                                                                        
     </scalar>
    </property>
    <property dictRef="siesta:FreeE">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.561503                                                                                        
     </scalar>
    </property>
    <property dictRef="siesta:Ebs">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-2566.070658                                                                                        
     </scalar>
    </property>
    <property dictRef="siesta:E_Fermi">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-3.856817                                                                                           
     </scalar>
    </property>
    <property dictRef="siesta:E_KS_egg">
     <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.560434                                                                                        
     </scalar>
    </property>
   </propertyList>
   <propertyList title="Forces">
   <!--Output: matrix fa(1:3,1:na_u)-->
    <property dictRef="siesta:forces">
    <!--In matrix, row (first) index is fastest-->
     <matrix units="siestaUnits:evpa" columns="74" rows="3"
      dataType="xsd:double">
  5.677632032681E-03  2.478374702064E-03  7.443888424811E-03
  1.690545296926E-03  7.759969817941E-05  1.587095183912E-02
  8.609472396589E-03  2.263955304840E-03  3.619318271834E-03
 -5.099700553090E-03  1.839785022554E-03  7.955624070571E-03
  2.502322597350E-03 -2.530685882651E-03  1.786287327292E-02
 -9.939085842670E-03 -5.905675382136E-03  6.184743855034E-03
  1.107284907515E-03 -1.276810314024E-03  1.354744903955E-02
  1.758550347316E-02 -4.993906904330E-03 -5.498233904187E-03
 -7.529553429743E-03 -2.316619847556E-03 -7.241987213709E-03
 -9.123568998641E-03 -4.795169982572E-03  1.579236708472E-02
  6.903314311462E-05 -5.646349303635E-03 -1.161016555814E-02
  1.509815997698E-02  4.694831679963E-03  4.798834259752E-03
 -6.952055403123E-04 -4.943107802318E-03  1.619985316812E-02
 -9.120480661418E-03 -5.901834191190E-03 -9.317259810533E-03
 -1.144161701551E-02  1.757919941194E-03 -1.972487948439E-02
  4.711695743661E-03  2.335422381555E-04 -5.573177852490E-03
 -6.583326173190E-03 -7.222617657128E-03  7.463551026148E-03
  2.248305608449E-03  1.054691846157E-03  4.336905932176E-03
  3.138435005025E-03 -5.937776160620E-03  1.374867519105E-02
 -5.568957747305E-03  4.421334821182E-04 -1.206217499474E-03
 -3.379255615568E-03 -5.883538431239E-03  4.369807786930E-03
 -6.165797679198E-03  8.096877652105E-03 -9.951567644332E-03
  3.480395291098E-03 -4.141645995144E-03 -8.465771147629E-04
 -1.935459919838E-03 -6.782866667943E-03  3.293250080872E-04
  5.601159767499E-03 -4.089325036773E-03 -4.170209436665E-03
 -4.572610925019E-03  6.849180169252E-04  5.406257457158E-03
  4.733632268100E-02 -1.138044900738E-03  2.891655017277E-02
 -1.795010930458E-03 -2.041120527439E-03 -1.689487337708E-02
  4.746835256811E-03 -3.512306942492E-03  6.065754993637E-03
 -4.329982250364E-03 -7.653569131377E-03 -1.394593162624E-03
 -2.376913412961E-03 -5.440436750869E-04  2.353690143190E-03
 -2.194998843982E-02  7.916428776676E-02 -4.911909516300E-02
 -2.339751138559E-03 -8.458696477529E-05 -1.539101618894E-02
  1.087964082647E-03  6.057760686475E-03  6.555103115698E-03
 -3.262133041163E-03 -1.725586999737E-03 -4.032510723057E-03
 -5.137145941449E-03  1.010928814153E-02  5.730874727487E-03
  1.127936491346E-01 -1.421200017361E-03 -7.996832367264E-02
 -1.559355819461E-03  3.210036366362E-03 -1.282534657653E-02
 -1.974024763244E-03 -3.937001969200E-03 -4.484625100943E-03
  5.014989752502E-03 -2.791814783432E-03 -7.826937445288E-04
 -4.590280616142E-03  4.666775541115E-03 -9.692579467036E-03
 -1.082286315114E-02 -1.820172825293E-02 -4.113711892042E-02
  1.200791658607E-04  2.402730696684E-03 -1.328170949854E-02
  3.161753953298E-03  1.620891535353E-03  1.036678534453E-02
 -1.502431720492E-03  3.247532030271E-03 -4.167545851751E-04
 -1.779638879363E-03  3.380254139409E-03  2.683457579123E-03
  6.774033841208E-02  1.209180019911E-03  9.180363411753E-03
  4.089989212613E-03  2.741572011030E-04 -1.687565667856E-02
  5.310351223370E-04  1.366656999515E-03  7.356974482541E-03
 -5.957771636093E-03  2.686062404568E-03 -1.792587414400E-04
 -5.658130069934E-03 -6.833895439620E-03  2.503762736255E-03
 -2.389175445356E-02 -8.237882812245E-02 -5.201868464034E-02
 -2.035776228936E-03  1.856525207550E-03 -1.640829836577E-02
  4.098691800811E-04 -3.088960222729E-03  2.885982987902E-03
 -9.740558333111E-03  5.756260244238E-04  6.457533700313E-03
  3.452453225749E-03  4.969019346832E-03  2.647251170127E-03
  1.182050243061E-02 -1.474224901473E-03  8.017671636397E-02
 -1.501775545457E-03 -3.873204974135E-04 -1.259831207643E-02
 -1.595099718257E-03 -1.833376430646E-03  8.178113439437E-03
  1.575610602676E-03  4.122132094334E-04  1.042398320206E-02
 -1.303974734995E-02 -9.809652401388E-03  6.561329424847E-03
 -1.279485797696E-02  2.822832324868E-02 -3.468036395129E-02
 -1.021288134160E-03 -1.466882981339E-04 -1.424152785213E-02
  2.721417614148E-03 -1.568368364677E-03  8.744505383578E-03
  3.463606800542E-03  6.688613163307E-04 -4.628812907429E-03
  6.447194663561E-03  4.560454850451E-03  8.015276813839E-03
  1.006331831070E-02  1.334508327773E-03  2.508748248267E-02
 -1.613406072430E-02  3.742319883108E-02  2.176675992862E-02
  3.822639177912E-02  1.377250559030E-03  2.074239370129E-02
 -1.236920849511E-02 -2.160950828377E-02  2.296635663780E-02
  3.207769133885E-02  1.060859145012E-03  2.410388472869E-02
 -1.452688140164E-02 -3.361769714488E-02  2.186322481936E-02
 -1.007209218182E-03  3.970501234999E-04  2.712334394544E-02
 -1.268714761321E-02  2.417436960171E-02  2.319641073796E-02

     </matrix>
    </property>
    <property dictRef="siesta:ftot">
     <array units="siestaUnits:evpa" size="3" dataType="xsd:double">
  1.498655508549E-01 -2.810895092590E-02  7.139186095029E-02

     </array>
    </property>
    <property dictRef="siesta:fmax">
     <scalar dataType="xsd:double" units="siestaUnits:evpa">0.112793649135                                                                                      
     </scalar>
    </property>
    <property dictRef="siesta:fres">
     <scalar dataType="xsd:double" units="siestaUnits:evpa">0.185708271363E-01                                                                                  
     </scalar>
    </property>
    <property dictRef="siesta:cfmax">
     <scalar dataType="xsd:double" units="siestaUnits:evpa">0.197248794844E-01                                                                                  
     </scalar>
    </property>
   </propertyList>
   <property title="Stress" dictRef="siesta:stress">
   <!--In matrix, row (first) index is fastest-->
    <matrix units="siestaUnits:evpa3" columns="3" rows="3" dataType="xsd:double">
  2.196228632084E-04  4.103942409165E-06  7.983978001423E-06
  4.103930517439E-06  2.452425607212E-04  1.724857141205E-06
  7.983690715154E-06  1.724795151846E-06 -1.540369255844E-06

    </matrix>
   </property>
  </module>
 </module>
 <module title="Finalization">
  <molecule>
   <atomArray>
    <atom elementType="Ge" id="a1" ref="siesta:e001"
     x3="    1.13306569                               "
     y3="    6.08759068                               "
     z3="    1.49572114                               " />
    <atom elementType="Ge" id="a2" ref="siesta:e001"
     x3="    8.01257546                               "
     y3="    2.10731543                               "
     z3="    1.47086922                               " />
    <atom elementType="Ge" id="a3" ref="siesta:e001"
     x3="    3.39198286                               "
     y3="    2.12488785                               "
     z3="    0.75483127                               " />
    <atom elementType="Ge" id="a4" ref="siesta:e001"
     x3="   10.39132532                               "
     y3="   -1.88312730                               "
     z3="    0.74993955                               " />
    <atom elementType="Ge" id="a5" ref="siesta:e001"
     x3="    0.00337891                               "
     y3="    7.95131558                               "
     z3="    0.09494128                               " />
    <atom elementType="Ge" id="a6" ref="siesta:e001"
     x3="    3.31967651                               "
     y3="    6.10982121                               "
     z3="    0.08923652                               " />
    <atom elementType="Ge" id="a7" ref="siesta:e001"
     x3="    0.00882013                               "
     y3="    4.22697222                               "
     z3="    0.09233780                               " />
    <atom elementType="Ge" id="a8" ref="siesta:e001"
     x3="    6.90512463                               "
     y3="    4.03941459                               "
     z3="    0.11068118                               " />
    <atom elementType="Ge" id="a9" ref="siesta:e001"
     x3="   10.12892225                               "
     y3="    2.09828939                               "
     z3="    0.01982515                               " />
    <atom elementType="Ge" id="a10" ref="siesta:e001"
     x3="    6.91142637                               "
     y3="    0.20933071                               "
     z3="    0.08871520                               " />
    <atom elementType="Ge" id="a11" ref="siesta:e001"
     x3="    1.14935031                               "
     y3="    6.09263126                               "
     z3="   -1.10667922                               " />
    <atom elementType="Ge" id="a12" ref="siesta:e001"
     x3="    4.48108807                               "
     y3="    3.98821416                               "
     z3="   -0.45343168                               " />
    <atom elementType="Ge" id="a13" ref="siesta:e001"
     x3="    1.21577368                               "
     y3="    2.10390483                               "
     z3="   -0.43584764                               " />
    <atom elementType="Ge" id="a14" ref="siesta:e001"
     x3="    4.48665942                               "
     y3="    0.26019904                               "
     z3="   -0.44362379                               " />
    <atom elementType="Ge" id="a15" ref="siesta:e001"
     x3="    7.91426016                               "
     y3="    2.13518745                               "
     z3="   -1.12392987                               " />
    <atom elementType="Ge" id="a16" ref="siesta:e001"
     x3="   11.39363865                               "
     y3="    0.04219222                               "
     z3="   -0.46457712                               " />
    <atom elementType="Ge" id="a17" ref="siesta:e001"
     x3="    8.20966044                               "
     y3="   -1.86593836                               "
     z3="   -0.45120560                               " />
    <atom elementType="Ge" id="a18" ref="siesta:e001"
     x3="   11.38880541                               "
     y3="   -3.81489318                               "
     z3="   -0.46405942                               " />
    <atom elementType="Ge" id="a19" ref="siesta:e001"
     x3="    1.11958328                               "
     y3="    6.08709717                               "
     z3="   -3.50473462                               " />
    <atom elementType="Ge" id="a20" ref="siesta:e001"
     x3="    4.57569976                               "
     y3="    4.08741696                               "
     z3="   -2.96380295                               " />
    <atom elementType="Ge" id="a21" ref="siesta:e001"
     x3="    1.14769939                               "
     y3="    2.10740060                               "
     z3="   -2.95202552                               " />
    <atom elementType="Ge" id="a22" ref="siesta:e001"
     x3="    4.56895551                               "
     y3="    0.11538619                               "
     z3="   -2.95583797                               " />
    <atom elementType="Ge" id="a23" ref="siesta:e001"
     x3="    8.03365765                               "
     y3="    2.10169048                               "
     z3="   -3.51821050                               " />
    <atom elementType="Ge" id="a24" ref="siesta:e001"
     x3="   11.46999843                               "
     y3="    0.11047118                               "
     z3="   -2.97588333                               " />
    <atom elementType="Ge" id="a25" ref="siesta:e001"
     x3="    8.05270639                               "
     y3="   -1.87905483                               "
     z3="   -2.96075119                               " />
    <atom elementType="Ge" id="a26" ref="siesta:e001"
     x3="   11.47286399                               "
     y3="   -3.87640640                               "
     z3="   -2.97359825                               " />
    <atom elementType="Ge" id="a27" ref="siesta:e001"
     x3="    1.10440000                               "
     y3="    2.10020000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a28" ref="siesta:e001"
     x3="   -1.19976181                               "
     y3="    2.10071383                               "
     z3="   -9.59034803                               " />
    <atom elementType="Ge" id="a29" ref="siesta:e001"
     x3="   -1.21487822                               "
     y3="    2.10226505                               "
     z3="   -7.17848301                               " />
    <atom elementType="Ge" id="a30" ref="siesta:e001"
     x3="   -0.04487390                               "
     y3="    4.06413862                               "
     z3="   -6.35056732                               " />
    <atom elementType="Ge" id="a31" ref="siesta:e001"
     x3="   -0.07085792                               "
     y3="    4.01405071                               "
     z3="   -3.91155619                               " />
    <atom elementType="Ge" id="a32" ref="siesta:e001"
     x3="    4.55570000                               "
     y3="    0.10760000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a33" ref="siesta:e001"
     x3="    2.25671427                               "
     y3="    0.10850355                               "
     z3="   -9.56325335                               " />
    <atom elementType="Ge" id="a34" ref="siesta:e001"
     x3="    2.26873007                               "
     y3="    0.11424828                               "
     z3="   -7.12928279                               " />
    <atom elementType="Ge" id="a35" ref="siesta:e001"
     x3="    3.41826958                               "
     y3="    2.10241582                               "
     z3="   -6.28508324                               " />
    <atom elementType="Ge" id="a36" ref="siesta:e001"
     x3="    3.43346061                               "
     y3="    2.10079748                               "
     z3="   -3.83523804                               " />
    <atom elementType="Ge" id="a37" ref="siesta:e001"
     x3="    8.00710000                               "
     y3="   -1.88500000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a38" ref="siesta:e001"
     x3="    5.70875243                               "
     y3="   -1.88528603                               "
     z3="   -9.61668791                               " />
    <atom elementType="Ge" id="a39" ref="siesta:e001"
     x3="    5.71919052                               "
     y3="   -1.88092904                               "
     z3="   -7.21614802                               " />
    <atom elementType="Ge" id="a40" ref="siesta:e001"
     x3="    6.85490939                               "
     y3="    0.08303024                               "
     z3="   -6.34971767                               " />
    <atom elementType="Ge" id="a41" ref="siesta:e001"
     x3="    6.83123037                               "
     y3="    0.02933439                               "
     z3="   -3.90841386                               " />
    <atom elementType="Ge" id="a42" ref="siesta:e001"
     x3="   11.45840000                               "
     y3="   -3.87770000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a43" ref="siesta:e001"
     x3="    9.15882270                               "
     y3="   -3.87651107                               "
     z3="   -9.56654665                               " />
    <atom elementType="Ge" id="a44" ref="siesta:e001"
     x3="    9.17044904                               "
     y3="   -3.87345496                               "
     z3="   -7.13499557                               " />
    <atom elementType="Ge" id="a45" ref="siesta:e001"
     x3="   10.31535561                               "
     y3="   -1.88414076                               "
     z3="   -6.29228547                               " />
    <atom elementType="Ge" id="a46" ref="siesta:e001"
     x3="   10.33564073                               "
     y3="   -1.88447758                               "
     z3="   -3.84303241                               " />
    <atom elementType="Ge" id="a47" ref="siesta:e001"
     x3="    1.10440000                               "
     y3="    6.08550000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a48" ref="siesta:e001"
     x3="   -1.18979553                               "
     y3="    6.08626008                               "
     z3="   -9.57864241                               " />
    <atom elementType="Ge" id="a49" ref="siesta:e001"
     x3="   -1.15502001                               "
     y3="    6.08887260                               "
     z3="   -7.15718833                               " />
    <atom elementType="Ge" id="a50" ref="siesta:e001"
     x3="   -0.04562788                               "
     y3="    8.11352895                               "
     z3="   -6.34466822                               " />
    <atom elementType="Ge" id="a51" ref="siesta:e001"
     x3="   -0.06493808                               "
     y3="    8.16584663                               "
     z3="   -3.90349302                               " />
    <atom elementType="Ge" id="a52" ref="siesta:e001"
     x3="    4.55570000                               "
     y3="    4.09280000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a53" ref="siesta:e001"
     x3="    2.25680395                               "
     y3="    4.09220944                               "
     z3="   -9.56386444                               " />
    <atom elementType="Ge" id="a54" ref="siesta:e001"
     x3="    2.27135510                               "
     y3="    4.08937498                               "
     z3="   -7.13029135                               " />
    <atom elementType="Ge" id="a55" ref="siesta:e001"
     x3="    3.45094910                               "
     y3="    6.08823445                               "
     z3="   -6.35622820                               " />
    <atom elementType="Ge" id="a56" ref="siesta:e001"
     x3="    3.51006126                               "
     y3="    6.08576575                               "
     z3="   -3.91608637                               " />
    <atom elementType="Ge" id="a57" ref="siesta:e001"
     x3="    8.00710000                               "
     y3="    2.10020000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a58" ref="siesta:e001"
     x3="    5.70700043                               "
     y3="    2.10049961                               "
     z3="   -9.56082248                               " />
    <atom elementType="Ge" id="a59" ref="siesta:e001"
     x3="    5.71173194                               "
     y3="    2.10269411                               "
     z3="   -7.12468596                               " />
    <atom elementType="Ge" id="a60" ref="siesta:e001"
     x3="    6.85408974                               "
     y3="    4.12461750                               "
     z3="   -6.35211278                               " />
    <atom elementType="Ge" id="a61" ref="siesta:e001"
     x3="    6.84020594                               "
     y3="    4.18121724                               "
     z3="   -3.91151767                               " />
    <atom elementType="Ge" id="a62" ref="siesta:e001"
     x3="   11.45840000                               "
     y3="    0.10760000                               "
     z3="  -10.35730000                               " />
    <atom elementType="Ge" id="a63" ref="siesta:e001"
     x3="    9.15857387                               "
     y3="    0.10645483                               "
     z3="   -9.56568932                               " />
    <atom elementType="Ge" id="a64" ref="siesta:e001"
     x3="    9.17133540                               "
     y3="    0.10531654                               "
     z3="   -7.13362360                               " />
    <atom elementType="Ge" id="a65" ref="siesta:e001"
     x3="   10.35606937                               "
     y3="    2.10215590                               "
     z3="   -6.36426397                               " />
    <atom elementType="Ge" id="a66" ref="siesta:e001"
     x3="   10.41674061                               "
     y3="    2.10316115                               "
     z3="   -3.93505491                               " />
    <atom elementType="H" id="a67" ref="siesta:e002"
     x3="    1.10440000                               "
     y3="    2.10020000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a68" ref="siesta:e002"
     x3="    4.55570000                               "
     y3="    0.10760000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a69" ref="siesta:e002"
     x3="    8.00710000                               "
     y3="   -1.88500000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a70" ref="siesta:e002"
     x3="   11.45890000                               "
     y3="   -3.87770000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a71" ref="siesta:e002"
     x3="    1.10430000                               "
     y3="    6.08520000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a72" ref="siesta:e002"
     x3="    4.55560000                               "
     y3="    4.09260000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a73" ref="siesta:e002"
     x3="    8.00690000                               "
     y3="    2.10000000                               "
     z3="  -11.89330000                               " />
    <atom elementType="H" id="a74" ref="siesta:e002"
     x3="   11.45890000                               "
     y3="    0.10760000                               "
     z3="  -11.89330000                               " />
   </atomArray>
  </molecule>
  <lattice dictRef="siesta:ucell">
   <latticeVector units="siestaUnits:Ang" dictRef="cml:latticeVector">
  1.380532564000E+01 -3.985255052000E+00  0.000000000000E+00

   </latticeVector>
   <latticeVector units="siestaUnits:Ang" dictRef="cml:latticeVector">
  0.000000000000E+00  7.970510104000E+00  0.000000000000E+00

   </latticeVector>
   <latticeVector units="siestaUnits:Ang" dictRef="cml:latticeVector">
  0.000000000000E+00  0.000000000000E+00  5.072400000000E+01

   </latticeVector>
  </lattice>
  <propertyList title="Eigenvalues">
   <property title="Fermi Energy" dictRef="siesta:E_Fermi">
    <scalar dataType="xsd:double" units="siestaUnits:ev">-3.85682                                                                                            
    </scalar>
   </property>
   <property title="Number of k-points" dictRef="siesta:nkpoints">
    <scalar dataType="xsd:integer" units="cmlUnits:countable">6
    </scalar>
   </property>
   <propertyList dictRef="siesta:kpt_band">
    <kpoint coords=" -0.06522833  0.05214405  0.00000000" weight="  0.16666667" />
    <property dictRef="siesta:eigenenergies">
     <array units="siestaUnits:ev" size="866" dataType="xsd:double">
 -1.642344182143E+01 -1.618604876291E+01 -1.611359812551E+01 -1.591659352140E+01
 -1.564060558190E+01 -1.548663234071E+01 -1.543539801041E+01 -1.507999440742E+01
 -1.501527769336E+01 -1.495290250856E+01 -1.480705775202E+01 -1.475618677382E+01
 -1.473442589285E+01 -1.462565369488E+01 -1.450179397925E+01 -1.443233246401E+01
 -1.437766814784E+01 -1.435022818243E+01 -1.430419985756E+01 -1.417858788995E+01
 -1.408582406787E+01 -1.397802705922E+01 -1.395608742607E+01 -1.384262029184E+01
 -1.379377074617E+01 -1.368304528182E+01 -1.353359498767E+01 -1.346118444391E+01
 -1.332477647678E+01 -1.315457255349E+01 -1.305956533105E+01 -1.304042745748E+01
 -1.255359978198E+01 -1.251021975498E+01 -1.239670596827E+01 -1.235393052420E+01
 -1.213235686456E+01 -1.195153063844E+01 -1.192512327685E+01 -1.180984742970E+01
 -1.178686698306E+01 -1.173222391913E+01 -1.161760133603E+01 -1.155026013015E+01
 -1.144949924363E+01 -1.142665322801E+01 -1.134703583185E+01 -1.122467431556E+01
 -1.117718439588E+01 -1.114242612826E+01 -1.109552498591E+01 -1.092307146320E+01
 -1.086630445406E+01 -1.079141290683E+01 -1.067406609152E+01 -1.059291728400E+01
 -1.052976209163E+01 -1.007829118568E+01 -1.000637859260E+01 -9.870017764903E+00
 -9.632142426688E+00 -9.366927674818E+00 -8.665602490779E+00 -8.379496828449E+00
 -8.374660497633E+00 -8.361054141217E+00 -8.326407921475E+00 -8.310253959427E+00
 -8.297650313653E+00 -8.154870028654E+00 -8.108792223029E+00 -8.000092491921E+00
 -7.718254970163E+00 -7.658240130626E+00 -7.600527748743E+00 -7.538376438309E+00
 -7.519705838196E+00 -7.490039962686E+00 -7.447195845754E+00 -7.421517746738E+00
 -7.360121746286E+00 -7.293110937254E+00 -7.254291760925E+00 -7.187199746520E+00
 -7.136993174399E+00 -7.098835661171E+00 -7.025261788660E+00 -6.993014094156E+00
 -6.958681174707E+00 -6.940945527310E+00 -6.812426095704E+00 -6.802828976796E+00
 -6.753940312821E+00 -6.706689840876E+00 -6.679825410257E+00 -6.635946079217E+00
 -6.547251307700E+00 -6.491214559637E+00 -6.470757059320E+00 -6.424528150642E+00
 -6.361053794810E+00 -6.345600429890E+00 -6.296134977029E+00 -6.277050502758E+00
 -6.198736429533E+00 -6.055705642950E+00 -6.017361295077E+00 -5.998722942927E+00
 -5.966549287826E+00 -5.910877041500E+00 -5.864530519855E+00 -5.856430193019E+00
 -5.836226417866E+00 -5.802698293656E+00 -5.693773770973E+00 -5.648938707830E+00
 -5.614384215953E+00 -5.575809701911E+00 -5.520321178767E+00 -5.476103635637E+00
 -5.365549982110E+00 -5.335218382393E+00 -5.285639523447E+00 -5.259661900262E+00
 -5.229086370770E+00 -5.182039411387E+00 -5.090345937030E+00 -5.030098649535E+00
 -4.940521656667E+00 -4.907526863038E+00 -4.736977004390E+00 -4.663521985214E+00
 -4.601305539779E+00 -4.496157571124E+00 -4.467027509970E+00 -4.091809621027E+00
 -3.603286124570E+00 -3.412874247614E+00 -3.038443057459E+00 -3.023707242195E+00
 -2.889896632962E+00 -2.801445329850E+00 -2.747641294629E+00 -2.669594020791E+00
 -2.650246073201E+00 -2.568181282672E+00 -2.545476908859E+00 -2.498690829257E+00
 -2.443425422222E+00 -2.359165873363E+00 -2.268964114881E+00 -2.222535761804E+00
 -2.202580939542E+00 -2.173724475474E+00 -2.110850115132E+00 -2.085034621070E+00
 -2.009368529771E+00 -1.963121992047E+00 -1.911126913337E+00 -1.880025371596E+00
 -1.826080956284E+00 -1.780091525790E+00 -1.730967867828E+00 -1.678069252392E+00
 -1.628763897698E+00 -1.538583911818E+00 -1.501810017981E+00 -1.439374235681E+00
 -1.369356915292E+00 -1.229344254913E+00 -1.145719404128E+00 -1.098256551686E+00
 -1.048595327309E+00 -1.005793045716E+00 -9.381437677578E-01 -8.990582493093E-01
 -8.726622798236E-01 -7.327389894204E-01 -6.857518442697E-01 -6.415994392755E-01
 -5.837102452227E-01 -5.425083887866E-01 -4.487675803540E-01 -3.998613176870E-01
 -3.800797178094E-01 -3.483946035495E-01 -2.931291897870E-01 -2.474470573080E-01
 -1.731554080399E-01 -1.083318695477E-01 -5.811924266606E-02 -3.413784819282E-02
 -7.632126199717E-04  5.341954461252E-02  9.645519311629E-02  1.425454842331E-01
  2.202664232452E-01  2.516902538172E-01  2.917675044076E-01  3.339451668818E-01
  3.998499605530E-01  4.413169084351E-01  4.802271070335E-01  5.330035704384E-01
  5.937757100854E-01  6.489537133065E-01  6.717900954506E-01  7.340726741621E-01
  7.699948414656E-01  8.873466249884E-01  9.177465602557E-01  9.714761440762E-01
  1.031358010344E+00  1.124488129187E+00  1.169568682757E+00  1.198131178865E+00
  1.278066587279E+00  1.320393808056E+00  1.413619703818E+00  1.533672614310E+00
  1.573717006864E+00  1.623240218148E+00  1.684467188793E+00  1.726820962124E+00
  1.796826921207E+00  1.888523053593E+00  1.943637443278E+00  1.984947610515E+00
  2.087301332666E+00  2.178795989175E+00  2.237518990995E+00  2.314747914613E+00
  2.401393568887E+00  2.446360663958E+00  2.507124287946E+00  2.618514268713E+00
  2.744170816101E+00  2.798123996033E+00  2.841072911085E+00  2.918995249279E+00
  2.971384332681E+00  3.048133599752E+00  3.213071827529E+00  3.303416851297E+00
  3.380734448050E+00  3.408784211986E+00  3.485437238244E+00  3.604508396343E+00
  3.661210357781E+00  3.771704835843E+00  3.872934343562E+00  3.965423399075E+00
  4.009825951053E+00  4.077166139920E+00  4.271863877175E+00  4.307813495386E+00
  4.352141362960E+00  4.495942014219E+00  4.831526387441E+00  4.894626511444E+00
  5.061583547591E+00  5.135840491669E+00  5.235949929371E+00  5.375784860120E+00
  5.445411558437E+00  5.572656239511E+00  5.712938532044E+00  5.803435150150E+00
  6.139165778113E+00  6.177971777617E+00  6.470510711578E+00  6.509730037075E+00
  6.693284242896E+00  6.816737472092E+00  6.923308048972E+00  6.999114900745E+00
  7.017635252174E+00  7.037583527072E+00  7.165612094805E+00  7.400077205178E+00
  7.496168422837E+00  7.806993055858E+00  7.840833780091E+00  7.910455587387E+00
  7.938109526372E+00  8.004105197371E+00  8.074991961911E+00  8.104629587230E+00
  8.252487995203E+00  8.312316137301E+00  8.347451476561E+00  8.397788356651E+00
  8.433324050686E+00  8.523141028421E+00  8.576162969026E+00  8.690373442946E+00
  8.707470383896E+00  8.769599052074E+00  8.805732989715E+00  8.852526399176E+00
  8.886217628119E+00  8.914062226790E+00  8.957191716391E+00  8.970283071173E+00
  9.023823612028E+00  9.051943121237E+00  9.076790519158E+00  9.107066724087E+00
  9.126347651606E+00  9.214859800516E+00  9.270646609401E+00  9.314352626316E+00
  9.407274134426E+00  9.445816573011E+00  9.504415852869E+00  9.536271682859E+00
  9.582562500950E+00  9.596120540063E+00  9.630025893335E+00  9.679494235185E+00
  9.725355208304E+00  9.751203210430E+00  9.812193659607E+00  9.873439940716E+00
  9.897005580753E+00  9.949161491230E+00  1.001734866196E+01  1.007384834432E+01
  1.014192975690E+01  1.020431385228E+01  1.024373436461E+01  1.027092160045E+01
  1.038305888764E+01  1.041401022927E+01  1.047315603863E+01  1.051125346745E+01
  1.055731541620E+01  1.062661729888E+01  1.072011879893E+01  1.077717348036E+01
  1.084175372882E+01  1.089278639572E+01  1.091179807234E+01  1.095353923200E+01
  1.101349494440E+01  1.103240011803E+01  1.111523820327E+01  1.113493065774E+01
  1.115247784964E+01  1.124377618107E+01  1.136966833959E+01  1.141990727801E+01
  1.146315228544E+01  1.149542374207E+01  1.153666275896E+01  1.158561516601E+01
  1.162406867440E+01  1.167086072600E+01  1.174297400293E+01  1.181674272670E+01
  1.187236408219E+01  1.192219800841E+01  1.194827989169E+01  1.197142162338E+01
  1.205613314782E+01  1.213194040268E+01  1.217134388171E+01  1.221307834582E+01
  1.226124091450E+01  1.231664791702E+01  1.235526126262E+01  1.238530648256E+01
  1.246994794694E+01  1.251050413107E+01  1.255470719585E+01  1.262177371283E+01
  1.267411851767E+01  1.273052033896E+01  1.281869935122E+01  1.284802785865E+01
  1.292153257320E+01  1.296947447018E+01  1.299829094727E+01  1.305019289539E+01
  1.312532552692E+01  1.315119053784E+01  1.319048158892E+01  1.325853291749E+01
  1.333524546826E+01  1.335492158284E+01  1.337314547588E+01  1.345236319447E+01
  1.350239897029E+01  1.353846267852E+01  1.360558731929E+01  1.366634449743E+01
  1.374311611893E+01  1.380000529519E+01  1.384774568316E+01  1.387394736135E+01
  1.394984934686E+01  1.396827601069E+01  1.406003786214E+01  1.414227651910E+01
  1.422173325932E+01  1.428179724770E+01  1.432760712786E+01  1.438169703102E+01
  1.447941545438E+01  1.455607531402E+01  1.457292042072E+01  1.466224190158E+01
  1.472671360136E+01  1.482256043445E+01  1.492539228858E+01  1.494632939599E+01
  1.502394273231E+01  1.508216864325E+01  1.513936070014E+01  1.522566408169E+01
  1.527326707982E+01  1.530717575894E+01  1.536907048878E+01  1.542933382257E+01
  1.550520666116E+01  1.558597022723E+01  1.561171179309E+01  1.570172829034E+01
  1.573951790486E+01  1.578898437160E+01  1.586941805722E+01  1.594529001774E+01
  1.597555131371E+01  1.600776787558E+01  1.605458693250E+01  1.608680642795E+01
  1.616911556537E+01  1.624368664570E+01  1.627521430675E+01  1.633603302589E+01
  1.638219114120E+01  1.649008359909E+01  1.651973196470E+01  1.655549101604E+01
  1.663083494675E+01  1.670844138647E+01  1.675335297611E+01  1.681618603180E+01
  1.684471171937E+01  1.690519400121E+01  1.698403490178E+01  1.705112174748E+01
  1.714363846428E+01  1.715553646482E+01  1.725612828776E+01  1.728578536882E+01
  1.737116967145E+01  1.743042715487E+01  1.748187502739E+01  1.753750514987E+01
  1.761919194718E+01  1.766388493251E+01  1.774117948405E+01  1.778307472460E+01
  1.781579659787E+01  1.786109079146E+01  1.790964744254E+01  1.803699731748E+01
  1.807274035513E+01  1.814919286164E+01  1.822664940194E+01  1.825478442500E+01
  1.830428814273E+01  1.834666614646E+01  1.841315175790E+01  1.842642590075E+01
  1.850389366826E+01  1.855812240239E+01  1.860534589735E+01  1.867809485838E+01
  1.868631236501E+01  1.877283743493E+01  1.878862503903E+01  1.882763780948E+01
  1.890105179332E+01  1.891574678603E+01  1.897444564647E+01  1.898914100465E+01
  1.904746402711E+01  1.908917763164E+01  1.914536300887E+01  1.917811166403E+01
  1.922890709652E+01  1.929272503504E+01  1.930557775599E+01  1.935197845158E+01
  1.937819669470E+01  1.941569009132E+01  1.944260781554E+01  1.946384942639E+01
  1.951124709605E+01  1.954775072378E+01  1.957283084802E+01  1.959297706284E+01
  1.963435489697E+01  1.967619708020E+01  1.971101398255E+01  1.974256268521E+01
  1.978041779013E+01  1.981001742941E+01  1.983402015081E+01  1.987463594046E+01
  1.992836776657E+01  1.996922739361E+01  1.999913565519E+01  2.001777777725E+01
  2.004721355476E+01  2.006985470935E+01  2.010550335225E+01  2.014976617569E+01
  2.019994724622E+01  2.022256987247E+01  2.024844966277E+01  2.025925848721E+01
  2.029927103978E+01  2.033941803319E+01  2.037345979451E+01  2.039640622700E+01
  2.044300096365E+01  2.046113905955E+01  2.050823435240E+01  2.052188756708E+01
  2.053550264192E+01  2.059780607643E+01  2.060345535947E+01  2.062832416716E+01
  2.064315703500E+01  2.068997893029E+01  2.070619781626E+01  2.074203433749E+01
  2.075657269316E+01  2.079763737845E+01  2.085255556333E+01  2.087584016148E+01
  2.092400013758E+01  2.095421513077E+01  2.096355824394E+01  2.099933116660E+01
  2.102666295943E+01  2.106897381090E+01  2.110301661489E+01  2.115140298075E+01
  2.117590627803E+01  2.120227489966E+01  2.122754067074E+01  2.124914478736E+01
  2.126818883347E+01  2.130375338197E+01  2.132740613616E+01  2.135717373936E+01
  2.139438581570E+01  2.144254894080E+01  2.147746702799E+01  2.152061147058E+01
  2.155472045693E+01  2.156915871672E+01  2.159088347879E+01  2.164557581213E+01
  2.166559515267E+01  2.169941665898E+01  2.172464689261E+01  2.177601923205E+01
  2.181760861876E+01  2.187071403192E+01  2.187717967742E+01  2.192132969080E+01
  2.193520980962E+01  2.202547523447E+01  2.204396608322E+01  2.207624334832E+01
  2.211419726501E+01  2.213194733218E+01  2.215871736718E+01  2.222567553256E+01
  2.225256119500E+01  2.227832087140E+01  2.232457753342E+01  2.234207001983E+01
  2.237294172533E+01  2.242644838865E+01  2.244858855800E+01  2.248234890250E+01
  2.250640956200E+01  2.253221997794E+01  2.258915026745E+01  2.262667620584E+01
  2.267999328526E+01  2.273566436971E+01  2.276602919159E+01  2.280757635127E+01
  2.282721323922E+01  2.288260261073E+01  2.295523593972E+01  2.302451887627E+01
  2.305410218533E+01  2.311578836344E+01  2.314838960111E+01  2.319853737573E+01
  2.323886081288E+01  2.326970460593E+01  2.331493407412E+01  2.335309898582E+01
  2.341176993675E+01  2.344030113426E+01  2.352203425431E+01  2.353198333274E+01
  2.356320432667E+01  2.363491066129E+01  2.366454281891E+01  2.371598480969E+01
  2.375954195607E+01  2.381570775265E+01  2.386131574282E+01  2.393988929180E+01
  2.396259719797E+01  2.399135336699E+01  2.404608978962E+01  2.405907897290E+01
  2.413701602690E+01  2.418759734441E+01  2.423162880480E+01  2.428918791558E+01
  2.436821451733E+01  2.440881178085E+01  2.445089638257E+01  2.449874850254E+01
  2.452253052344E+01  2.456243584681E+01  2.460276662078E+01  2.463472165548E+01
  2.469136588875E+01  2.470836851850E+01  2.474529912626E+01  2.483504333527E+01
  2.486818065856E+01  2.491564152482E+01  2.494599718407E+01  2.499458316866E+01
  2.500705705501E+01  2.509648417167E+01  2.511953697194E+01  2.517297291302E+01
  2.526920071519E+01  2.528487127048E+01  2.531919018117E+01  2.537602865870E+01
  2.544036468933E+01  2.546907385159E+01  2.553094539226E+01  2.556162055830E+01
  2.562175974208E+01  2.567060270796E+01  2.574109741417E+01  2.577226168587E+01
  2.583753141779E+01  2.588383239369E+01  2.590957844310E+01  2.599819031267E+01
  2.604210164804E+01  2.610229610885E+01  2.618121762489E+01  2.624372602220E+01
  2.630345234116E+01  2.635015297898E+01  2.635932071271E+01  2.644030101742E+01
  2.647286475042E+01  2.653594609695E+01  2.656598890099E+01  2.664532124064E+01
  2.669884984208E+01  2.675724598347E+01  2.679807487517E+01  2.684300795048E+01
  2.691099436369E+01  2.696705003642E+01  2.699274727534E+01  2.707502505186E+01
  2.713108453053E+01  2.719545091958E+01  2.724461185531E+01  2.729741416055E+01
  2.733844367237E+01  2.740469127565E+01  2.740847017337E+01  2.749062721893E+01
  2.753632705372E+01  2.759157867618E+01  2.761412690402E+01  2.767152873467E+01
  2.776239529287E+01  2.781397453460E+01  2.787329869316E+01  2.793714066318E+01
  2.797842146995E+01  2.801731174084E+01  2.804854093024E+01  2.809351158593E+01
  2.813822505168E+01  2.816069756882E+01  2.821194354894E+01  2.826478184899E+01
  2.831243277188E+01  2.837200736332E+01  2.844044954679E+01  2.846618680330E+01
  2.849739830369E+01  2.856022007526E+01  2.859474815179E+01  2.865179900685E+01
  2.872039905688E+01  2.878077003444E+01  2.884550498712E+01  2.894343798259E+01
  2.902317371426E+01  2.913086213313E+01  2.917057787093E+01  2.920366193034E+01
  2.929683152329E+01  2.935771978104E+01  2.943844792099E+01  2.946418137095E+01
  2.951475223986E+01  2.959478112655E+01  2.964995147867E+01  2.970043154598E+01
  2.979287206995E+01  2.986578728198E+01  2.994971710667E+01  2.998576541919E+01
  3.008125774144E+01  3.015613088848E+01  3.026675187377E+01  3.037136540014E+01
  3.050191005871E+01  3.065604079390E+01  3.071427376394E+01  3.082663895673E+01
  3.090267155940E+01  3.095353820823E+01  3.102007896107E+01  3.109027269396E+01
  3.116337904913E+01  3.122758059856E+01  3.128277388995E+01  3.137997448549E+01
  3.139893246752E+01  3.151882375323E+01  3.161085742437E+01  3.167634939015E+01
  3.180688744767E+01  3.183037524425E+01  3.197581413822E+01  3.207028433750E+01
  3.219797274846E+01  3.227666707414E+01  3.237936967737E+01  3.243829610390E+01
  3.249732076663E+01  3.259725915439E+01  3.270664277400E+01  3.277898413730E+01
  3.294369252097E+01  3.297400806559E+01  3.311477771087E+01  3.316259925666E+01
  3.337839728296E+01  3.345194039628E+01  3.349479851631E+01  3.364173859303E+01
  3.374996770989E+01  3.381113611598E+01  3.392026131226E+01  3.398373700865E+01
  3.407264797161E+01  3.424953156988E+01  3.431799399862E+01  3.434062273488E+01
  3.446021480447E+01  3.452410160239E+01  3.458232839468E+01  3.467291408893E+01
  3.469343540270E+01  3.480882007994E+01  3.488452832247E+01  3.496742395886E+01
  3.507595688285E+01  3.510248915542E+01  3.512480207022E+01  3.523052074754E+01
  3.538026461750E+01  3.540634509244E+01  3.545377515613E+01  3.549385949728E+01
  3.557660106133E+01  3.568541492220E+01  3.573200794276E+01  3.584845842201E+01
  3.588214002901E+01  3.600227937348E+01  3.605198122296E+01  3.612813989162E+01
  3.624226812502E+01  3.636380297735E+01  3.647646886847E+01  3.662651983335E+01
  3.673610046666E+01  3.696093874419E+01  3.703042201248E+01  3.726731381490E+01
  3.739562594879E+01  3.769986099621E+01  3.779218156224E+01  3.795610799845E+01
  3.818313029800E+01  3.838819512723E+01  3.856102556285E+01  3.872586508961E+01
  3.899158624156E+01  3.907319467626E+01  3.931153978545E+01  3.953973147450E+01
  3.991231730934E+01  4.008065531798E+01  4.025075018913E+01  4.051312694774E+01
  4.121536614105E+01  4.142131401529E+01  4.190987657004E+01  4.245961751748E+01
  4.300292323373E+01  4.354213975917E+01  4.428879931272E+01  4.448576895817E+01
  4.469482165742E+01  4.491616699836E+01  4.515982514840E+01  4.544090455921E+01
  4.561393903508E+01  4.609686109863E+01  4.627353330713E+01  4.668036348823E+01
  4.690748855758E+01  4.713572679364E+01  4.763864164084E+01  4.770330753044E+01
  4.793671134764E+01  4.808691273123E+01  4.824987460815E+01  4.879501294207E+01
  4.912640493632E+01  4.960993900872E+01  5.037022443284E+01  5.071436666694E+01
  5.136392507632E+01  5.373473994361E+01

     </array>
    </property>
    <kpoint coords=" -0.03512295  0.15643214  0.00000000" weight="  0.16666667" />
    <property dictRef="siesta:eigenenergies">
     <array units="siestaUnits:ev" size="866" dataType="xsd:double">
 -1.626266956021E+01 -1.599153612358E+01 -1.592111463367E+01 -1.573814777496E+01
 -1.566326618590E+01 -1.553226912125E+01 -1.549524966573E+01 -1.541730639370E+01
 -1.524104729332E+01 -1.516563147309E+01 -1.502536244138E+01 -1.493268747330E+01
 -1.482290976774E+01 -1.471233118364E+01 -1.459395774836E+01 -1.448650127275E+01
 -1.438026683590E+01 -1.434811837088E+01 -1.429628621818E+01 -1.427046040002E+01
 -1.419625140321E+01 -1.406447220041E+01 -1.399968616970E+01 -1.392010090010E+01
 -1.388124003711E+01 -1.373781455698E+01 -1.369525293605E+01 -1.357815110592E+01
 -1.345666434411E+01 -1.315199630035E+01 -1.307297311747E+01 -1.303033571000E+01
 -1.259730465906E+01 -1.246714158676E+01 -1.237459092284E+01 -1.198397356081E+01
 -1.194087612802E+01 -1.184124743767E+01 -1.177184962359E+01 -1.173031895890E+01
 -1.168113619823E+01 -1.155066165210E+01 -1.152209713533E+01 -1.147222441051E+01
 -1.140475011213E+01 -1.122037431311E+01 -1.117721403370E+01 -1.106835506085E+01
 -1.098252472734E+01 -1.088008031292E+01 -1.081909406143E+01 -1.075587622519E+01
 -1.054688407076E+01 -1.053254838102E+01 -1.027102902699E+01 -1.005803067818E+01
 -9.995725898394E+00 -9.774331565796E+00 -9.608354328372E+00 -9.426032987201E+00
 -9.343247619032E+00 -9.298524545444E+00 -8.875629664282E+00 -8.605247717446E+00
 -8.470228269372E+00 -8.401905135900E+00 -8.348028869360E+00 -8.325519288859E+00
 -8.292604499770E+00 -8.212480218982E+00 -8.194369276260E+00 -8.125513432536E+00
 -8.070999848831E+00 -7.959594415273E+00 -7.938271901374E+00 -7.870010988475E+00
 -7.802522285574E+00 -7.711581690573E+00 -7.686982896747E+00 -7.625441682379E+00
 -7.570443335062E+00 -7.552078613791E+00 -7.526055028463E+00 -7.409934362624E+00
 -7.376858927498E+00 -7.335816919475E+00 -7.292490935085E+00 -7.172765418599E+00
 -7.141433605284E+00 -7.055981505052E+00 -7.009869450411E+00 -6.970463739431E+00
 -6.922184824974E+00 -6.877775492024E+00 -6.829434538821E+00 -6.773219702399E+00
 -6.703983971475E+00 -6.668932525904E+00 -6.655005978835E+00 -6.605961426455E+00
 -6.574637714942E+00 -6.502305700865E+00 -6.489676514193E+00 -6.465765320391E+00
 -6.431984651664E+00 -6.415716388214E+00 -6.394097307744E+00 -6.305327264205E+00
 -6.208079782906E+00 -6.182028174990E+00 -6.117587251967E+00 -6.075118548816E+00
 -6.043213083282E+00 -5.970484965820E+00 -5.909187659834E+00 -5.806553562190E+00
 -5.768258392070E+00 -5.713483417520E+00 -5.689747271458E+00 -5.639984448725E+00
 -5.532562071850E+00 -5.422498191046E+00 -5.392180927260E+00 -5.362850704823E+00
 -5.329427647336E+00 -5.246487205227E+00 -5.175315089686E+00 -5.119858699646E+00
 -5.026964566793E+00 -4.946058728119E+00 -4.936846655848E+00 -4.899796339555E+00
 -4.806644361287E+00 -4.534416785152E+00 -4.478487465580E+00 -4.403551917925E+00
 -3.717412716948E+00 -3.479941618463E+00 -2.885054296418E+00 -2.651198039634E+00
 -2.509138233138E+00 -2.472800192175E+00 -2.402070110218E+00 -2.283618811255E+00
 -2.219379075175E+00 -2.150335180174E+00 -2.049208869164E+00 -2.014700427990E+00
 -1.985193344408E+00 -1.939236571071E+00 -1.878141166711E+00 -1.850021574679E+00
 -1.824241426998E+00 -1.799662733845E+00 -1.733956331523E+00 -1.696790153011E+00
 -1.584823175098E+00 -1.544396164229E+00 -1.470135109129E+00 -1.397752102423E+00
 -1.355059045353E+00 -1.286563584987E+00 -1.261539437779E+00 -1.175943925431E+00
 -1.139446972710E+00 -1.042224799122E+00 -9.916249531259E-01 -9.709750558038E-01
 -9.073712234174E-01 -8.786363125271E-01 -7.969307644499E-01 -7.589812930008E-01
 -7.216068830216E-01 -6.890208858529E-01 -6.792918414972E-01 -5.475547150918E-01
 -4.995510166420E-01 -4.257495073341E-01 -4.016354431643E-01 -3.652519229832E-01
 -3.170153464457E-01 -3.030313193246E-01 -2.593225573498E-01 -2.371872048468E-01
 -1.414581749691E-01 -1.012814222774E-01 -7.427259183497E-02 -3.304116367107E-02
  2.753904162449E-02  6.560825897958E-02  9.499911250964E-02  1.411385633121E-01
  1.883551729373E-01  2.349653914795E-01  2.740154933020E-01  3.406572179007E-01
  3.581145068673E-01  4.642261555905E-01  4.980105147649E-01  5.274076299563E-01
  6.147405513581E-01  6.971547031494E-01  7.320855793881E-01  7.797958973733E-01
  8.211807623283E-01  8.567807708319E-01  9.006969015587E-01  9.528533714008E-01
  1.007091593487E+00  1.069402029532E+00  1.086270464702E+00  1.143168794962E+00
  1.184188469730E+00  1.239961585227E+00  1.287613347955E+00  1.337353618426E+00
  1.369022122321E+00  1.436643051897E+00  1.522070168563E+00  1.542591736370E+00
  1.604860742433E+00  1.626727336226E+00  1.715164915091E+00  1.733396120139E+00
  1.800524518072E+00  1.855061758789E+00  1.902939622515E+00  1.928877300261E+00
  1.989190286313E+00  2.015098934834E+00  2.112768800531E+00  2.165694864580E+00
  2.209716967408E+00  2.284321930176E+00  2.326055570817E+00  2.474720715634E+00
  2.513428065712E+00  2.594516995258E+00  2.645914771496E+00  2.727808404754E+00
  2.763788374772E+00  2.778450692138E+00  2.859434861906E+00  2.869021965864E+00
  2.923546414620E+00  3.017746821631E+00  3.037877481949E+00  3.107781715223E+00
  3.235864905246E+00  3.244139663571E+00  3.353074764369E+00  3.446803847079E+00
  3.494250631822E+00  3.579688055200E+00  3.644506060024E+00  3.715307881827E+00
  3.796007575368E+00  3.853550843528E+00  3.876520185986E+00  3.902063462989E+00
  4.067094782655E+00  4.237038940763E+00  4.277076859134E+00  4.644981690191E+00
  4.938125726568E+00  5.023869699597E+00  5.157128877430E+00  5.227773680729E+00
  5.313122342632E+00  5.503594383369E+00  5.643851003948E+00  5.979998665454E+00
  6.365577118265E+00  6.653385397885E+00  6.778536239233E+00  6.830348254095E+00
  6.917052953636E+00  6.961795462732E+00  7.026685684589E+00  7.111107450539E+00
  7.135550895771E+00  7.257427295119E+00  7.325832948084E+00  7.395454383299E+00
  7.675805425655E+00  7.816922768857E+00  7.928527318322E+00  8.002352488393E+00
  8.065320639103E+00  8.114424423464E+00  8.160213366350E+00  8.263586354729E+00
  8.334873794685E+00  8.359906645773E+00  8.409253918478E+00  8.442830833578E+00
  8.521889661153E+00  8.590240382034E+00  8.660626518474E+00  8.681748762190E+00
  8.794099910233E+00  8.892408005522E+00  8.951403015009E+00  8.996375066661E+00
  9.016671224126E+00  9.054351447159E+00  9.099725589193E+00  9.122444486733E+00
  9.126207962919E+00  9.163564919910E+00  9.196050254001E+00  9.214780394669E+00
  9.251671332496E+00  9.287574150197E+00  9.361305621571E+00  9.375787579206E+00
  9.407138924216E+00  9.463028244369E+00  9.501726475408E+00  9.564438214243E+00
  9.596694241814E+00  9.623980960243E+00  9.641346750695E+00  9.734714663577E+00
  9.768729098427E+00  9.863322724596E+00  9.933768392406E+00  9.944716970737E+00
  1.000226395251E+01  1.007963663213E+01  1.010525510369E+01  1.015793729469E+01
  1.025128681923E+01  1.025725092516E+01  1.027395029471E+01  1.033420072223E+01
  1.039217306875E+01  1.050376975428E+01  1.056916297198E+01  1.061336831644E+01
  1.068417577185E+01  1.075006181591E+01  1.080479175433E+01  1.087111705148E+01
  1.093291288845E+01  1.100167422783E+01  1.103965072681E+01  1.106906411217E+01
  1.115664964708E+01  1.118404616324E+01  1.127821579197E+01  1.133679736891E+01
  1.137002319944E+01  1.142758224543E+01  1.149254656439E+01  1.154521181046E+01
  1.160143248347E+01  1.169828474424E+01  1.173736904831E+01  1.178401509882E+01
  1.185327250973E+01  1.197131065026E+01  1.203943247303E+01  1.208986674432E+01
  1.219881202995E+01  1.222019523394E+01  1.225568403065E+01  1.233314556475E+01
  1.234528001527E+01  1.243781899571E+01  1.253052130840E+01  1.253887854688E+01
  1.257548042892E+01  1.268230939839E+01  1.270959324805E+01  1.284735161698E+01
  1.288650223340E+01  1.293240646557E+01  1.299101161746E+01  1.309928431439E+01
  1.315131400401E+01  1.325582287626E+01  1.328416115252E+01  1.336179125012E+01
  1.339392160793E+01  1.341918191629E+01  1.348089538644E+01  1.354927960219E+01
  1.360437900783E+01  1.363231578406E+01  1.366049605486E+01  1.377064451770E+01
  1.380688500748E+01  1.386008831817E+01  1.393321865206E+01  1.397363909866E+01
  1.403181659217E+01  1.408805559319E+01  1.412653782724E+01  1.421095039260E+01
  1.425276060684E+01  1.430452211399E+01  1.435882313464E+01  1.443393116422E+01
  1.446043085082E+01  1.452834481142E+01  1.460026843012E+01  1.465139371415E+01
  1.471519991886E+01  1.474686576032E+01  1.477380287142E+01  1.482326821351E+01
  1.490149339242E+01  1.492297560775E+01  1.500219978743E+01  1.506248486569E+01
  1.512562665935E+01  1.522883319432E+01  1.528228123603E+01  1.534967011713E+01
  1.539728442854E+01  1.543966163464E+01  1.545783708625E+01  1.555592879706E+01
  1.558391130626E+01  1.564818921881E+01  1.565573304785E+01  1.569839060093E+01
  1.575326613791E+01  1.579416494761E+01  1.585992368188E+01  1.592447188560E+01
  1.598384997213E+01  1.603887315703E+01  1.605449435267E+01  1.614114272561E+01
  1.621113785246E+01  1.623689701283E+01  1.629479842603E+01  1.632226946860E+01
  1.639459981306E+01  1.643250710134E+01  1.648038718140E+01  1.656354423658E+01
  1.661985631106E+01  1.666516569326E+01  1.671147595093E+01  1.677245187785E+01
  1.683872476335E+01  1.688631733127E+01  1.693426152669E+01  1.700481488994E+01
  1.707569044093E+01  1.714435793941E+01  1.718930264411E+01  1.722578050575E+01
  1.728892459028E+01  1.738907490730E+01  1.740304135943E+01  1.743056957148E+01
  1.749776843002E+01  1.757686125116E+01  1.760519885785E+01  1.766610747945E+01
  1.775822030469E+01  1.780012038359E+01  1.782905215821E+01  1.791337807282E+01
  1.794387944774E+01  1.801026362287E+01  1.815334750046E+01  1.818131373567E+01
  1.823930190506E+01  1.833441633826E+01  1.836887136878E+01  1.847290515624E+01
  1.851925465501E+01  1.859361399251E+01  1.862488263738E+01  1.868610175441E+01
  1.872326396088E+01  1.875269700202E+01  1.882031078359E+01  1.887823170501E+01
  1.890396429707E+01  1.895667453624E+01  1.899427879955E+01  1.901513918670E+01
  1.907858141559E+01  1.910964838256E+01  1.915569682099E+01  1.917723980057E+01
  1.920259790395E+01  1.924717505502E+01  1.928256130128E+01  1.930663102896E+01
  1.934183364684E+01  1.940173865514E+01  1.943720465438E+01  1.945544263438E+01
  1.948756331692E+01  1.950016703826E+01  1.954543808979E+01  1.958481059172E+01
  1.961588419909E+01  1.964900962358E+01  1.969349347035E+01  1.972248768758E+01
  1.975853795156E+01  1.979601168048E+01  1.983172793644E+01  1.984656405220E+01
  1.988228005098E+01  1.989003462036E+01  1.992627439158E+01  1.995529033216E+01
  1.997217644513E+01  2.000286976502E+01  2.005314038051E+01  2.008095290165E+01
  2.009521408508E+01  2.012747655328E+01  2.015649125036E+01  2.017417242143E+01
  2.024245705252E+01  2.025689902958E+01  2.028346373849E+01  2.030623413097E+01
  2.033247012873E+01  2.035297362090E+01  2.038645940356E+01  2.039858090398E+01
  2.041156717445E+01  2.047865754076E+01  2.050104236001E+01  2.052402610175E+01
  2.057038157127E+01  2.059523439144E+01  2.062619715608E+01  2.063207247100E+01
  2.064483267517E+01  2.067426510383E+01  2.071389630399E+01  2.072883448658E+01
  2.074906796360E+01  2.078058119866E+01  2.081145114859E+01  2.084643862011E+01
  2.087696949826E+01  2.089977376152E+01  2.092117231727E+01  2.094735047898E+01
  2.098934582360E+01  2.100446433067E+01  2.103062790552E+01  2.109322499177E+01
  2.112230518028E+01  2.115139541507E+01  2.119463862127E+01  2.121517429380E+01
  2.126046338399E+01  2.129886267756E+01  2.131539924681E+01  2.132419345026E+01
  2.137401402911E+01  2.141170008377E+01  2.145424786863E+01  2.146211073771E+01
  2.153635937135E+01  2.157836883225E+01  2.158977103445E+01  2.162158274568E+01
  2.169361486084E+01  2.174257543643E+01  2.179073055041E+01  2.180317635252E+01
  2.184260040723E+01  2.188776293779E+01  2.192724166360E+01  2.193764947648E+01
  2.198648966305E+01  2.201690028519E+01  2.204047955444E+01  2.212256211341E+01
  2.215450267180E+01  2.218203345399E+01  2.222906703147E+01  2.226360508881E+01
  2.230571242009E+01  2.232471426210E+01  2.235841267252E+01  2.238870202108E+01
  2.245444049864E+01  2.248162724285E+01  2.250481571902E+01  2.252757508264E+01
  2.261586105705E+01  2.264144451068E+01  2.268654939746E+01  2.269849168636E+01
  2.277634253157E+01  2.283604374796E+01  2.285794907792E+01  2.287969429442E+01
  2.293102318161E+01  2.299751586085E+01  2.303697742867E+01  2.304398343232E+01
  2.314024153601E+01  2.318753406869E+01  2.321437696776E+01  2.327437572877E+01
  2.328795485137E+01  2.332921832505E+01  2.339384887372E+01  2.344704830404E+01
  2.350023588906E+01  2.355869055182E+01  2.361918053332E+01  2.365829454847E+01
  2.367649306754E+01  2.374219908828E+01  2.378644764462E+01  2.382470253689E+01
  2.390640441034E+01  2.394686050159E+01  2.401969312248E+01  2.404537507727E+01
  2.409987757601E+01  2.415472029546E+01  2.423391477536E+01  2.429348046752E+01
  2.432947085248E+01  2.437350797395E+01  2.439727154077E+01  2.446050517525E+01
  2.448186591380E+01  2.457101536036E+01  2.460089598790E+01  2.464656835721E+01
  2.468080216994E+01  2.474974779640E+01  2.477165263796E+01  2.478877969728E+01
  2.489307974111E+01  2.492041343022E+01  2.495092243745E+01  2.499536074116E+01
  2.505547498521E+01  2.508508822406E+01  2.514769728344E+01  2.518804316294E+01
  2.523160548037E+01  2.528021258308E+01  2.534153791871E+01  2.537558560484E+01
  2.544856854260E+01  2.546454525849E+01  2.553304999289E+01  2.558180446737E+01
  2.562427649824E+01  2.565982046838E+01  2.570093250098E+01  2.572553955287E+01
  2.579942858154E+01  2.587099003522E+01  2.591358399006E+01  2.594766950261E+01
  2.599782741133E+01  2.608119211531E+01  2.611822117963E+01  2.618224785959E+01
  2.622033292407E+01  2.627474216219E+01  2.630613668545E+01  2.636151696198E+01
  2.640795073519E+01  2.642590201941E+01  2.647053306588E+01  2.650093514069E+01
  2.658416249020E+01  2.661605060818E+01  2.669483720676E+01  2.671453087264E+01
  2.679185549809E+01  2.685142120888E+01  2.687200592227E+01  2.696673687245E+01
  2.700868243292E+01  2.709683072661E+01  2.714224733223E+01  2.716775799938E+01
  2.727791278854E+01  2.732199286074E+01  2.737600910459E+01  2.743509494638E+01
  2.750051825760E+01  2.757006379013E+01  2.763190659443E+01  2.763976146945E+01
  2.771223125177E+01  2.777931623842E+01  2.786265067990E+01  2.792294447063E+01
  2.799503294756E+01  2.802618071761E+01  2.812215039934E+01  2.813353638563E+01
  2.819069087044E+01  2.827176637796E+01  2.831612192585E+01  2.834574607151E+01
  2.837941322191E+01  2.843962882882E+01  2.850993964997E+01  2.859443830837E+01
  2.861128681407E+01  2.866257929790E+01  2.871506848856E+01  2.877894438871E+01
  2.882020938788E+01  2.885655640291E+01  2.895690771727E+01  2.901447731907E+01
  2.903842571089E+01  2.910945786423E+01  2.915637584906E+01  2.920053172703E+01
  2.927838192855E+01  2.933185121758E+01  2.941592908644E+01  2.959771180030E+01
  2.965279468435E+01  2.969195148256E+01  2.972050633876E+01  2.979140050550E+01
  2.984646243682E+01  2.993092983875E+01  3.003564783239E+01  3.015323217962E+01
  3.018203560537E+01  3.032922882959E+01  3.040241466867E+01  3.052332535779E+01
  3.062102064810E+01  3.076597518967E+01  3.099487836536E+01  3.114915900486E+01
  3.137277459053E+01  3.139343499540E+01  3.146014308487E+01  3.153426346870E+01
  3.158913505016E+01  3.165988505457E+01  3.175289300939E+01  3.180019135473E+01
  3.193036726888E+01  3.199192402371E+01  3.201425252754E+01  3.210484905790E+01
  3.221528208190E+01  3.226036263823E+01  3.237405667811E+01  3.251057976557E+01
  3.257344153174E+01  3.267661423711E+01  3.274832949938E+01  3.278643104630E+01
  3.289954000592E+01  3.294551034094E+01  3.302607021084E+01  3.316356544104E+01
  3.323495144344E+01  3.328276613560E+01  3.335823666384E+01  3.342081949444E+01
  3.351269958257E+01  3.362054536860E+01  3.368305703068E+01  3.381451493371E+01
  3.386600002554E+01  3.400409330391E+01  3.404364905868E+01  3.409698679034E+01
  3.420047925878E+01  3.432758846042E+01  3.441413006419E+01  3.449057332865E+01
  3.455672572808E+01  3.464093660125E+01  3.475530765343E+01  3.480670089506E+01
  3.490824313660E+01  3.494627771413E+01  3.498889789950E+01  3.512685238965E+01
  3.522776190945E+01  3.532381549476E+01  3.539081898085E+01  3.544646131465E+01
  3.557200903841E+01  3.563857517750E+01  3.570321508730E+01  3.577430352739E+01
  3.586744596604E+01  3.588627835801E+01  3.598509728474E+01  3.607413311579E+01
  3.618814269352E+01  3.627596945840E+01  3.636025587042E+01  3.646915946531E+01
  3.662082351775E+01  3.679406467588E+01  3.688284120145E+01  3.715214898685E+01
  3.735684343729E+01  3.742978574002E+01  3.762648769204E+01  3.776596574435E+01
  3.778869411483E+01  3.794430451128E+01  3.817007511322E+01  3.829414654505E+01
  3.859242044560E+01  3.876759611146E+01  3.886239065491E+01  3.900676709028E+01
  3.915651128048E+01  3.945017613420E+01  3.953244266175E+01  3.972986955743E+01
  4.000341568009E+01  4.016870042868E+01  4.039226883462E+01  4.073191451057E+01
  4.106261558776E+01  4.160462442432E+01  4.175275206649E+01  4.185766833163E+01
  4.227338505212E+01  4.240794051517E+01  4.278359297613E+01  4.325139189852E+01
  4.342101649525E+01  4.391080173743E+01  4.424528569063E+01  4.463091367735E+01
  4.482388492427E+01  4.507167797293E+01  4.540848622970E+01  4.566820657377E+01
  4.595173712725E+01  4.623079169330E+01  4.643848113884E+01  4.653199559518E+01
  4.683834957236E+01  4.724199227649E+01  4.731949939461E+01  4.759063845586E+01
  4.787383977657E+01  4.825370474931E+01  4.910680814050E+01  4.984837750206E+01
  5.026136141829E+01  5.165789944766E+01

     </array>
    </property>
    <kpoint coords="  0.01505269  0.05214405  0.00000000" weight="  0.16666667" />
    <property dictRef="siesta:eigenenergies">
     <array units="siestaUnits:ev" size="866" dataType="xsd:double">
 -1.645373746437E+01 -1.614406898470E+01 -1.601719403990E+01 -1.584597652313E+01
 -1.570949256707E+01 -1.567036777247E+01 -1.536319588332E+01 -1.518998248688E+01
 -1.500577565377E+01 -1.497837206822E+01 -1.493423617289E+01 -1.473066214254E+01
 -1.459472119872E+01 -1.453433416232E+01 -1.448633391471E+01 -1.441859939643E+01
 -1.437003709572E+01 -1.433566188318E+01 -1.425273297160E+01 -1.408925348154E+01
 -1.406849984588E+01 -1.404930309897E+01 -1.399610659543E+01 -1.393315307643E+01
 -1.376460765301E+01 -1.361631170419E+01 -1.358016651657E+01 -1.344646861597E+01
 -1.334828699652E+01 -1.312296364389E+01 -1.304760752846E+01 -1.302444730246E+01
 -1.260043115205E+01 -1.252165037553E+01 -1.247537151907E+01 -1.226691111592E+01
 -1.220600089779E+01 -1.194992925217E+01 -1.193940816948E+01 -1.187751109030E+01
 -1.169062078968E+01 -1.168192007155E+01 -1.155525619210E+01 -1.149464006790E+01
 -1.148847308153E+01 -1.146492448789E+01 -1.144215190365E+01 -1.143301185119E+01
 -1.121638958610E+01 -1.115436621751E+01 -1.107132491383E+01 -1.096691433657E+01
 -1.088893188940E+01 -1.080272669579E+01 -1.071634725319E+01 -1.046091622000E+01
 -1.034680546415E+01 -1.021254368396E+01 -1.007250054363E+01 -9.610116605073E+00
 -9.477393025889E+00 -9.134964557715E+00 -8.696302235134E+00 -8.376592423406E+00
 -8.363743514882E+00 -8.339210283675E+00 -8.330278215429E+00 -8.322760372322E+00
 -8.268561177682E+00 -8.106234362099E+00 -8.056352320326E+00 -7.852975615619E+00
 -7.819938206485E+00 -7.798913900932E+00 -7.670718630057E+00 -7.632957556336E+00
 -7.621877810868E+00 -7.566616044668E+00 -7.516549601267E+00 -7.399089120967E+00
 -7.362190073407E+00 -7.307826302522E+00 -7.272926583570E+00 -7.236532302576E+00
 -7.189569951828E+00 -7.093393311688E+00 -7.082387863650E+00 -7.058170528527E+00
 -6.995558914589E+00 -6.955478608389E+00 -6.926604906947E+00 -6.913735841547E+00
 -6.781846022619E+00 -6.710538699302E+00 -6.642514953214E+00 -6.603070998485E+00
 -6.551243819367E+00 -6.501868561992E+00 -6.480989284390E+00 -6.427526431609E+00
 -6.378934742727E+00 -6.343184487355E+00 -6.286428782029E+00 -6.227495630834E+00
 -6.210441301736E+00 -6.166015206733E+00 -6.101671635849E+00 -6.028000102741E+00
 -5.958414339589E+00 -5.935341800228E+00 -5.890572598992E+00 -5.850787517145E+00
 -5.792229243338E+00 -5.760377421984E+00 -5.710891361255E+00 -5.634882606240E+00
 -5.619142137789E+00 -5.593148121611E+00 -5.510030624185E+00 -5.382366885375E+00
 -5.312178532291E+00 -5.301855202439E+00 -5.288369582248E+00 -5.234543794262E+00
 -5.193633737405E+00 -5.162574425575E+00 -4.971386328691E+00 -4.919966937809E+00
 -4.905928273049E+00 -4.855484406875E+00 -4.779354748821E+00 -4.606541799731E+00
 -4.478674234945E+00 -4.421066622758E+00 -4.359542630068E+00 -3.976190577816E+00
 -3.676320460533E+00 -3.432963420930E+00 -3.257157923766E+00 -3.012418860604E+00
 -2.838430767160E+00 -2.742613579299E+00 -2.679551273641E+00 -2.646192436198E+00
 -2.569802063662E+00 -2.523112552209E+00 -2.466401135808E+00 -2.443583416526E+00
 -2.358831929872E+00 -2.326187520686E+00 -2.283378037020E+00 -2.210444005830E+00
 -2.167457165670E+00 -2.146286563416E+00 -2.088367490026E+00 -2.010933888605E+00
 -1.993874210765E+00 -1.948198936628E+00 -1.901129143847E+00 -1.843487811384E+00
 -1.825168956233E+00 -1.798718294023E+00 -1.720058902233E+00 -1.655678277406E+00
 -1.594986971334E+00 -1.534820839814E+00 -1.463476883243E+00 -1.364818823201E+00
 -1.344161709529E+00 -1.285643475907E+00 -1.247983842635E+00 -1.153901665080E+00
 -1.069798867862E+00 -1.041455191340E+00 -9.544953920341E-01 -9.304892483064E-01
 -8.880080055415E-01 -8.084840757764E-01 -7.790768914893E-01 -6.904625121632E-01
 -6.708333503459E-01 -6.007710509688E-01 -5.667798746439E-01 -5.467766580197E-01
 -4.664573866152E-01 -4.000073505817E-01 -3.401867898051E-01 -2.753207031628E-01
 -2.341619985799E-01 -1.527081795420E-01 -1.075795753146E-01 -9.482561217316E-02
 -1.982187355163E-02  3.147439548356E-02  7.783446809135E-02  1.333386751277E-01
  1.741082238180E-01  1.987446030217E-01  2.343907022850E-01  3.107036273499E-01
  3.336017016433E-01  3.596445446853E-01  4.140733325898E-01  4.810868577528E-01
  5.032598340206E-01  5.663923937156E-01  6.757738138317E-01  7.123130338866E-01
  7.456959153005E-01  7.945891655721E-01  8.651465555124E-01  9.421117000191E-01
  1.015005689547E+00  1.058631222821E+00  1.128504699599E+00  1.160135770899E+00
  1.208047989211E+00  1.285732180272E+00  1.376902025397E+00  1.520718955597E+00
  1.596554065384E+00  1.642397920111E+00  1.732736001177E+00  1.810255541306E+00
  1.863535988086E+00  1.893861563308E+00  1.952744636194E+00  2.000859269539E+00
  2.084982151002E+00  2.172515158353E+00  2.318056013556E+00  2.397545387867E+00
  2.438746081850E+00  2.580758905610E+00  2.607442129054E+00  2.679609669813E+00
  2.744475620522E+00  2.785171666554E+00  2.843960642296E+00  3.046986411906E+00
  3.133404826165E+00  3.205143155492E+00  3.274295125536E+00  3.398161985318E+00
  3.432091733766E+00  3.534982671876E+00  3.590272293792E+00  3.688585267041E+00
  3.793610230985E+00  3.862542281607E+00  3.981739942780E+00  4.056781793177E+00
  4.095458118013E+00  4.251657734546E+00  4.362912756404E+00  4.397386284432E+00
  4.521742387017E+00  4.582603499523E+00  4.793104485436E+00  4.840494011563E+00
  4.917052711577E+00  5.100444192301E+00  5.183614240842E+00  5.321261144451E+00
  5.393221237847E+00  5.562470471593E+00  5.712814423837E+00  5.809916779229E+00
  5.931478669732E+00  6.178592260592E+00  6.622913393298E+00  6.749734393296E+00
  6.805624123072E+00  6.837587572238E+00  6.958260070049E+00  7.121759611173E+00
  7.143959176477E+00  7.184317660261E+00  7.286341086558E+00  7.365516111047E+00
  7.468991467431E+00  7.559137805576E+00  7.626573989419E+00  7.745852125210E+00
  7.890980137688E+00  7.982449325639E+00  8.027925047714E+00  8.053621519696E+00
  8.126839508014E+00  8.199670710292E+00  8.240129732492E+00  8.300653635351E+00
  8.379826466821E+00  8.401111336450E+00  8.423329318172E+00  8.558321699225E+00
  8.668417750340E+00  8.723883399761E+00  8.768047293135E+00  8.828246771096E+00
  8.863050801798E+00  8.940028794374E+00  8.965838277480E+00  8.982886792229E+00
  9.004998743040E+00  9.072533454790E+00  9.135211278439E+00  9.148693727909E+00
  9.171435332508E+00  9.209543915535E+00  9.238777063554E+00  9.301722998586E+00
  9.322715431937E+00  9.350215646068E+00  9.364592523770E+00  9.423836410445E+00
  9.521953098796E+00  9.590285838376E+00  9.612333022590E+00  9.642002019164E+00
  9.674634303727E+00  9.739920177730E+00  9.754434944511E+00  9.839301436929E+00
  9.886097287838E+00  9.957038890533E+00  1.003574306769E+01  1.009099293350E+01
  1.019199131281E+01  1.021809898976E+01  1.029783274558E+01  1.034908134735E+01
  1.040672487663E+01  1.045546869735E+01  1.051264125304E+01  1.060909309162E+01
  1.066844799210E+01  1.070983238689E+01  1.074443072238E+01  1.084127740473E+01
  1.088747266406E+01  1.093426994203E+01  1.098464579506E+01  1.102380214170E+01
  1.107712474906E+01  1.111352517641E+01  1.116010265606E+01  1.118233217589E+01
  1.124646365871E+01  1.130200937859E+01  1.133678269942E+01  1.138625998563E+01
  1.146161843398E+01  1.157376601467E+01  1.166506479233E+01  1.170299082740E+01
  1.172221096968E+01  1.176560293795E+01  1.178855180741E+01  1.184298516005E+01
  1.188552459549E+01  1.192799815709E+01  1.194354718730E+01  1.201677564886E+01
  1.210140378342E+01  1.211529587347E+01  1.218853684255E+01  1.222308220072E+01
  1.227316343111E+01  1.230070234890E+01  1.232659815568E+01  1.239591519599E+01
  1.247079321629E+01  1.250003207021E+01  1.253136408074E+01  1.263998113820E+01
  1.266936613541E+01  1.273787851140E+01  1.281932829472E+01  1.287258422366E+01
  1.296000551499E+01  1.300136963263E+01  1.302344979218E+01  1.304183978293E+01
  1.310519822892E+01  1.315259866196E+01  1.319490838750E+01  1.325163150201E+01
  1.329493411670E+01  1.332981311486E+01  1.339088891440E+01  1.341359033863E+01
  1.347907539262E+01  1.351043399021E+01  1.353586381784E+01  1.360420557660E+01
  1.366723215086E+01  1.374004839190E+01  1.380791553075E+01  1.386102756573E+01
  1.389000761381E+01  1.397009704216E+01  1.405088501844E+01  1.410862766118E+01
  1.419073929175E+01  1.422851207917E+01  1.427957050482E+01  1.443101592401E+01
  1.446706521169E+01  1.461683673272E+01  1.464907666650E+01  1.468621089844E+01
  1.475145373983E+01  1.478194422773E+01  1.487959897048E+01  1.495572563880E+01
  1.506130020575E+01  1.511870614372E+01  1.516975511821E+01  1.521790543764E+01
  1.523499302023E+01  1.530866999566E+01  1.538128704147E+01  1.542235521219E+01
  1.546603850881E+01  1.555066125869E+01  1.557580115753E+01  1.566023131059E+01
  1.574187019819E+01  1.581259277387E+01  1.584280801912E+01  1.589736373370E+01
  1.594149377258E+01  1.600682592255E+01  1.611661473925E+01  1.613207297584E+01
  1.620750741128E+01  1.624430619033E+01  1.627316895312E+01  1.635189451064E+01
  1.639043718435E+01  1.641119408051E+01  1.653105282130E+01  1.664371376230E+01
  1.667859475840E+01  1.672049208259E+01  1.674879406070E+01  1.687412287800E+01
  1.691017224581E+01  1.697984302962E+01  1.703692224314E+01  1.709302298035E+01
  1.713611070411E+01  1.715679155938E+01  1.725124379257E+01  1.731500787114E+01
  1.738905348522E+01  1.743607717889E+01  1.749252293696E+01  1.753560334130E+01
  1.759771928934E+01  1.767184308782E+01  1.773091168395E+01  1.780891581594E+01
  1.783160647363E+01  1.792703053143E+01  1.800725587249E+01  1.804042493068E+01
  1.807898828382E+01  1.818660928745E+01  1.823572887645E+01  1.827091383882E+01
  1.830410332245E+01  1.835652761929E+01  1.837263103537E+01  1.841193113729E+01
  1.850873699424E+01  1.855469398600E+01  1.861561392476E+01  1.866074582420E+01
  1.871695335854E+01  1.878168648781E+01  1.881797809056E+01  1.884160540537E+01
  1.888480397111E+01  1.891434851242E+01  1.897394198758E+01  1.902231620412E+01
  1.904128714128E+01  1.906192510005E+01  1.913212533946E+01  1.918373703540E+01
  1.919374412674E+01  1.924552201332E+01  1.931257243680E+01  1.936525093629E+01
  1.940658051283E+01  1.942060713474E+01  1.946876801642E+01  1.951572958903E+01
  1.953355792329E+01  1.955519706361E+01  1.959665135857E+01  1.961747589251E+01
  1.963998840476E+01  1.965022169191E+01  1.972184291060E+01  1.976689975819E+01
  1.980430327419E+01  1.983093759914E+01  1.986686252818E+01  1.988424573238E+01
  1.990478408055E+01  1.993787862975E+01  1.998197084612E+01  2.001119957470E+01
  2.003281500431E+01  2.005011976259E+01  2.009032272492E+01  2.013221840830E+01
  2.017242680901E+01  2.020139807702E+01  2.021622229228E+01  2.027576966818E+01
  2.030545363180E+01  2.031996766583E+01  2.036156206886E+01  2.038584084677E+01
  2.042118870906E+01  2.045621684649E+01  2.048007482499E+01  2.049980025921E+01
  2.051565253087E+01  2.055745395044E+01  2.056860239215E+01  2.061413133169E+01
  2.062121959181E+01  2.066699491757E+01  2.068232162128E+01  2.071859534715E+01
  2.072985776170E+01  2.076771663853E+01  2.081644141488E+01  2.085737329233E+01
  2.089334786288E+01  2.092582533269E+01  2.094590490734E+01  2.099827226494E+01
  2.102339467245E+01  2.104527735522E+01  2.109942844704E+01  2.113679380829E+01
  2.116439683810E+01  2.119234081083E+01  2.119572670762E+01  2.127551351329E+01
  2.128882498662E+01  2.132815655979E+01  2.135205346940E+01  2.142189838083E+01
  2.144698467500E+01  2.146041202210E+01  2.151567299554E+01  2.154151728894E+01
  2.155341371271E+01  2.161358608412E+01  2.166997238356E+01  2.170114852118E+01
  2.172594855733E+01  2.176284048832E+01  2.178506779798E+01  2.181327795779E+01
  2.184816163880E+01  2.187655900167E+01  2.190637272233E+01  2.194140465749E+01
  2.199570831928E+01  2.203093964210E+01  2.205085427375E+01  2.207831468221E+01
  2.211268022603E+01  2.218015161818E+01  2.221411057753E+01  2.226521958958E+01
  2.228440563118E+01  2.232197746513E+01  2.237267390914E+01  2.240157341050E+01
  2.244669199981E+01  2.247644097561E+01  2.251892482441E+01  2.253162707293E+01
  2.259036796544E+01  2.261719506640E+01  2.264380065702E+01  2.269380817284E+01
  2.270238544514E+01  2.275159323116E+01  2.279605564688E+01  2.283009778744E+01
  2.286980384965E+01  2.289245433916E+01  2.297227303300E+01  2.301094042336E+01
  2.304510635451E+01  2.314824436351E+01  2.317205328040E+01  2.320555362135E+01
  2.325614492863E+01  2.330464643135E+01  2.335277511361E+01  2.337380513964E+01
  2.342921565670E+01  2.346225588790E+01  2.347642461763E+01  2.351250231172E+01
  2.358053980185E+01  2.359799247743E+01  2.363938985633E+01  2.370826901211E+01
  2.378072001885E+01  2.382184853202E+01  2.388454850552E+01  2.394409771290E+01
  2.397305249957E+01  2.402411746166E+01  2.405283331116E+01  2.407532265764E+01
  2.411819134127E+01  2.414223681249E+01  2.422077998215E+01  2.427681925031E+01
  2.428799686186E+01  2.434514918552E+01  2.436934359282E+01  2.441334316641E+01
  2.444222363874E+01  2.448631116976E+01  2.452997722858E+01  2.459233565113E+01
  2.461481276903E+01  2.469952294170E+01  2.475026257334E+01  2.481208451786E+01
  2.485239470579E+01  2.487286278954E+01  2.492907866714E+01  2.496978474499E+01
  2.505440885132E+01  2.508514028560E+01  2.514640332676E+01  2.522601918411E+01
  2.523992522214E+01  2.530069313568E+01  2.535108031303E+01  2.539147534053E+01
  2.543260620496E+01  2.546572347060E+01  2.554799365614E+01  2.562996541650E+01
  2.565383357623E+01  2.567556345843E+01  2.575103368142E+01  2.577472568494E+01
  2.580218465083E+01  2.594775174791E+01  2.601933706509E+01  2.603682902617E+01
  2.608869844114E+01  2.616551536463E+01  2.619350930947E+01  2.626408447343E+01
  2.629610203785E+01  2.631931799305E+01  2.637626627629E+01  2.640801955055E+01
  2.644366672322E+01  2.649208686689E+01  2.654093170744E+01  2.662994368874E+01
  2.669367221082E+01  2.673530496847E+01  2.677915510012E+01  2.683640735538E+01
  2.689063482605E+01  2.694457085721E+01  2.697426960103E+01  2.707159201720E+01
  2.713148745816E+01  2.715884092948E+01  2.718255562619E+01  2.725899582936E+01
  2.730070061915E+01  2.736480907901E+01  2.739478334417E+01  2.743496443464E+01
  2.749441228871E+01  2.754721966015E+01  2.758460084319E+01  2.763059944706E+01
  2.770806346611E+01  2.777865042492E+01  2.784442525325E+01  2.791447824016E+01
  2.794450634898E+01  2.799194331862E+01  2.803366763478E+01  2.805919541228E+01
  2.811342186805E+01  2.815354505337E+01  2.818948327758E+01  2.825553980960E+01
  2.827537824074E+01  2.831358206069E+01  2.833234272158E+01  2.838714329871E+01
  2.841930971055E+01  2.850293332346E+01  2.856102438962E+01  2.860701509887E+01
  2.866772815353E+01  2.881357301016E+01  2.887689200315E+01  2.905213323534E+01
  2.909431960530E+01  2.915005917204E+01  2.918540627334E+01  2.926130104042E+01
  2.927854101758E+01  2.933841679930E+01  2.939581433195E+01  2.948056281955E+01
  2.952014313659E+01  2.961859416107E+01  2.963154701212E+01  2.972268032210E+01
  2.979094042040E+01  2.989832439513E+01  2.997810462471E+01  3.000631005172E+01
  3.013678661705E+01  3.024372257428E+01  3.026981260063E+01  3.037488436133E+01
  3.041690655232E+01  3.063097158150E+01  3.073227159898E+01  3.077096855408E+01
  3.081249458346E+01  3.089692460290E+01  3.105334117989E+01  3.113778876883E+01
  3.118993825526E+01  3.128947282395E+01  3.134685061866E+01  3.144893899139E+01
  3.150134159430E+01  3.156475463946E+01  3.165485539937E+01  3.173094664958E+01
  3.184463767578E+01  3.196001080651E+01  3.210491234266E+01  3.215037703230E+01
  3.218522963300E+01  3.223182314238E+01  3.235814864868E+01  3.240485974679E+01
  3.242468065107E+01  3.252398391113E+01  3.259341563632E+01  3.266999939009E+01
  3.270524854009E+01  3.284604345753E+01  3.304810877612E+01  3.315643134173E+01
  3.327775390895E+01  3.344351877019E+01  3.349453777732E+01  3.355644109813E+01
  3.367686992816E+01  3.376657063972E+01  3.379716392194E+01  3.394368393581E+01
  3.406159243777E+01  3.428512640636E+01  3.436752946584E+01  3.440361405863E+01
  3.446667771692E+01  3.456450296822E+01  3.467362417408E+01  3.474334392488E+01
  3.475543504288E+01  3.482381698343E+01  3.494925870136E+01  3.497725569537E+01
  3.509248943356E+01  3.516265107646E+01  3.523925226728E+01  3.526371738759E+01
  3.529847390802E+01  3.538975346738E+01  3.543671392811E+01  3.552393027803E+01
  3.558169140657E+01  3.561607927039E+01  3.571155380568E+01  3.574367785508E+01
  3.584539743381E+01  3.592392708554E+01  3.602125888659E+01  3.615456321971E+01
  3.625519837241E+01  3.636001639182E+01  3.643445408141E+01  3.659275604240E+01
  3.675042619784E+01  3.683823449243E+01  3.705427818936E+01  3.727047356448E+01
  3.740511326617E+01  3.756251686709E+01  3.765638364815E+01  3.790038975273E+01
  3.799837973344E+01  3.834407905393E+01  3.885730432324E+01  3.894256210444E+01
  3.927024673975E+01  3.938510671469E+01  3.950564092950E+01  3.957815786362E+01
  4.016729713261E+01  4.035606159104E+01  4.062795907019E+01  4.096630975186E+01
  4.130441270598E+01  4.252510176230E+01  4.306042401051E+01  4.342807156289E+01
  4.358622825773E+01  4.384212531432E+01  4.429321784352E+01  4.470060049661E+01
  4.477224166712E+01  4.497230540142E+01  4.517805856660E+01  4.561675925416E+01
  4.571057510994E+01  4.578774723779E+01  4.614560022653E+01  4.641412418217E+01
  4.653479083044E+01  4.678488750953E+01  4.696672441915E+01  4.730533096222E+01
  4.760923451802E+01  4.767913275741E+01  4.810786382797E+01  4.848430598415E+01
  4.884048061785E+01  4.901725152554E+01  4.971487925314E+01  5.010858578517E+01
  5.086376826792E+01  5.458229983706E+01

     </array>
    </property>
    <kpoint coords="  0.04515808  0.15643214  0.00000000" weight="  0.16666667" />
    <property dictRef="siesta:eigenenergies">
     <array units="siestaUnits:ev" size="866" dataType="xsd:double">
 -1.625506783375E+01 -1.598799890007E+01 -1.594067827992E+01 -1.576444573754E+01
 -1.567824944230E+01 -1.552230000498E+01 -1.546882159753E+01 -1.536423209865E+01
 -1.526857384042E+01 -1.517664478861E+01 -1.500184767062E+01 -1.488846300429E+01
 -1.481853739347E+01 -1.477158962031E+01 -1.461388703204E+01 -1.448534426250E+01
 -1.440880317045E+01 -1.435021366218E+01 -1.433278438392E+01 -1.420989862229E+01
 -1.418816671610E+01 -1.408623095292E+01 -1.401813332539E+01 -1.388219306641E+01
 -1.387649581255E+01 -1.375892498626E+01 -1.365410059312E+01 -1.358876729506E+01
 -1.343868920120E+01 -1.318400724113E+01 -1.310261183880E+01 -1.303282446444E+01
 -1.258474086039E+01 -1.244140658445E+01 -1.234972788043E+01 -1.199442530856E+01
 -1.192880967630E+01 -1.187381947761E+01 -1.179186143993E+01 -1.172444021679E+01
 -1.166342781587E+01 -1.154130721040E+01 -1.153159026496E+01 -1.146552494439E+01
 -1.138389734438E+01 -1.124419909841E+01 -1.115925597856E+01 -1.102226250112E+01
 -1.100326911811E+01 -1.091204647085E+01 -1.083587815096E+01 -1.076944071681E+01
 -1.051887462011E+01 -1.047517571721E+01 -1.022273066040E+01 -1.014799762643E+01
 -1.005695031306E+01 -9.778718025411E+00 -9.574261316034E+00 -9.480514239710E+00
 -9.373038178588E+00 -9.305294703169E+00 -8.827629428085E+00 -8.508846816947E+00
 -8.485037837924E+00 -8.420600190485E+00 -8.346555150538E+00 -8.326851857099E+00
 -8.306803304891E+00 -8.256493669768E+00 -8.216583282723E+00 -8.110185032812E+00
 -8.091601404850E+00 -7.926409493124E+00 -7.915077375038E+00 -7.854675177225E+00
 -7.758199778299E+00 -7.700999941868E+00 -7.649703402206E+00 -7.616864165643E+00
 -7.576011808566E+00 -7.555782484288E+00 -7.490934290287E+00 -7.443570757419E+00
 -7.376947431375E+00 -7.336024363278E+00 -7.310782666161E+00 -7.214479135647E+00
 -7.153105629350E+00 -7.046647025049E+00 -7.005343861600E+00 -6.958842381867E+00
 -6.909412408291E+00 -6.888265011856E+00 -6.829061774452E+00 -6.778906611547E+00
 -6.710395314205E+00 -6.679538969582E+00 -6.662681940119E+00 -6.645108663278E+00
 -6.579183275614E+00 -6.514713454884E+00 -6.497444564948E+00 -6.469073754310E+00
 -6.415143743952E+00 -6.387840510764E+00 -6.376640496136E+00 -6.284426536710E+00
 -6.213618478629E+00 -6.193538147617E+00 -6.150723644186E+00 -6.109764800794E+00
 -6.054676831246E+00 -5.957680209012E+00 -5.834480980691E+00 -5.808964076307E+00
 -5.761919957299E+00 -5.733699195322E+00 -5.705611443910E+00 -5.620218784384E+00
 -5.536443605434E+00 -5.437175077959E+00 -5.396377935662E+00 -5.357285070805E+00
 -5.330610516967E+00 -5.253185550783E+00 -5.181488308018E+00 -5.121012254983E+00
 -5.037341753957E+00 -4.949407245970E+00 -4.928040443200E+00 -4.878503274768E+00
 -4.821202590197E+00 -4.536341013424E+00 -4.471681728273E+00 -4.390988976693E+00
 -3.707009253999E+00 -3.491686459328E+00 -2.883372575679E+00 -2.663039873262E+00
 -2.488503550713E+00 -2.414058891552E+00 -2.380647896704E+00 -2.287474176942E+00
 -2.221801293109E+00 -2.153620255121E+00 -2.060055778943E+00 -2.007230948009E+00
 -1.970539164139E+00 -1.938510071238E+00 -1.894598938358E+00 -1.865184752161E+00
 -1.838423877494E+00 -1.799927018158E+00 -1.739787671192E+00 -1.706822869323E+00
 -1.608041049607E+00 -1.560747803100E+00 -1.458612045138E+00 -1.409656937053E+00
 -1.397975545557E+00 -1.335742180235E+00 -1.267718304302E+00 -1.164956069713E+00
 -1.131782865521E+00 -1.080153366980E+00 -1.015059547316E+00 -9.694861083624E-01
 -9.143288214524E-01 -8.767068305047E-01 -8.177492163557E-01 -7.670844699406E-01
 -7.199093431250E-01 -6.857172171121E-01 -6.191791783885E-01 -5.933253548594E-01
 -5.284993494852E-01 -4.647842399695E-01 -3.874869155490E-01 -3.585320579318E-01
 -3.098260557389E-01 -2.982448317287E-01 -2.373757248116E-01 -2.144483479395E-01
 -1.615708652165E-01 -9.693301724875E-02 -5.375547358603E-02 -1.510837301574E-02
  2.418577140287E-02  8.017706402530E-02  1.168526737685E-01  1.529067661529E-01
  1.866513716577E-01  2.325829683146E-01  2.907308662208E-01  3.290083284096E-01
  3.772648475023E-01  4.500102752356E-01  4.917489455145E-01  5.381553175884E-01
  6.406997464922E-01  7.046741325654E-01  7.340995211899E-01  7.778427048001E-01
  7.962764944677E-01  8.610618331098E-01  9.000169935060E-01  9.580929711817E-01
  1.026569869132E+00  1.060438234366E+00  1.086969383811E+00  1.172889076179E+00
  1.220699291739E+00  1.280278799501E+00  1.299722846352E+00  1.342107049501E+00
  1.413434481009E+00  1.459718225599E+00  1.526113262557E+00  1.552841348944E+00
  1.617576845905E+00  1.630683984782E+00  1.717161144031E+00  1.768185312137E+00
  1.805488655300E+00  1.861578123204E+00  1.910575048014E+00  1.935142625795E+00
  1.995305731639E+00  2.039660629175E+00  2.113690823843E+00  2.153687257797E+00
  2.215826013621E+00  2.290920536380E+00  2.316173926057E+00  2.451662411805E+00
  2.522831047456E+00  2.580699299563E+00  2.636528314160E+00  2.700790415227E+00
  2.743559791787E+00  2.800041730447E+00  2.852037025201E+00  2.872490547856E+00
  2.910551189298E+00  2.973783021059E+00  3.038005454551E+00  3.119933354592E+00
  3.224785576870E+00  3.250189012132E+00  3.338339446432E+00  3.429451399104E+00
  3.474523497020E+00  3.574028822782E+00  3.630657103313E+00  3.681413296316E+00
  3.773138902433E+00  3.853073292419E+00  3.901842318565E+00  3.947992667415E+00
  4.026305245695E+00  4.183577234814E+00  4.282958691291E+00  4.555856282480E+00
  4.952204516657E+00  5.044726252942E+00  5.171568725065E+00  5.206300121395E+00
  5.338960764001E+00  5.530833154923E+00  5.602780206688E+00  5.950292603810E+00
  6.244317585108E+00  6.603304785910E+00  6.712239769281E+00  6.765987523262E+00
  6.863632374293E+00  6.921981262876E+00  7.003532036555E+00  7.119177654892E+00
  7.194774852659E+00  7.283401017498E+00  7.353323330486E+00  7.446460050198E+00
  7.741625674023E+00  7.885337258460E+00  7.958304380191E+00  8.014731748132E+00
  8.078187564549E+00  8.146514346271E+00  8.178911242001E+00  8.280138795390E+00
  8.342715460909E+00  8.355091885699E+00  8.454336897345E+00  8.483231243763E+00
  8.561312068979E+00  8.639417931718E+00  8.691830328713E+00  8.718902071936E+00
  8.798355577345E+00  8.871881401994E+00  8.938685217517E+00  8.983389358647E+00
  9.013436256717E+00  9.026191839577E+00  9.074579076535E+00  9.108502411392E+00
  9.123029084855E+00  9.161145791143E+00  9.187175243652E+00  9.210226436348E+00
  9.243595128109E+00  9.294042544081E+00  9.336332729218E+00  9.368678880392E+00
  9.415133200332E+00  9.468627167598E+00  9.481286283621E+00  9.567800970284E+00
  9.602128093884E+00  9.611846974681E+00  9.650559663861E+00  9.730968851744E+00
  9.761601114726E+00  9.851261537847E+00  9.908835265313E+00  9.958238875943E+00
  1.000142529990E+01  1.007375426396E+01  1.011043933685E+01  1.016652329899E+01
  1.023818429682E+01  1.026201777205E+01  1.029649234144E+01  1.034032218586E+01
  1.039733878157E+01  1.051127967443E+01  1.057007978545E+01  1.060045787647E+01
  1.066979066950E+01  1.074535949189E+01  1.080149555401E+01  1.086682317733E+01
  1.093009190449E+01  1.099588364657E+01  1.103580837439E+01  1.110393264919E+01
  1.114365105074E+01  1.119292695894E+01  1.127801297412E+01  1.133898717334E+01
  1.137707424883E+01  1.141815928914E+01  1.148603778680E+01  1.154628332957E+01
  1.161793276123E+01  1.168390927258E+01  1.173270334607E+01  1.179881535593E+01
  1.183110934825E+01  1.195009550970E+01  1.204525147404E+01  1.208839547062E+01
  1.215082480362E+01  1.221001885986E+01  1.225612329011E+01  1.231028875312E+01
  1.235317560617E+01  1.243798663684E+01  1.252044776889E+01  1.253503408511E+01
  1.258375564244E+01  1.269906224592E+01  1.271808787075E+01  1.286184649481E+01
  1.288831258728E+01  1.293833599849E+01  1.299881407655E+01  1.310989301700E+01
  1.316263545625E+01  1.325746018142E+01  1.328465522456E+01  1.336095681338E+01
  1.338806897348E+01  1.343109458620E+01  1.348264797251E+01  1.355570803485E+01
  1.360325291735E+01  1.363207109646E+01  1.367050885716E+01  1.374527381129E+01
  1.377779226399E+01  1.382478763654E+01  1.392460963238E+01  1.396005945489E+01
  1.402226775237E+01  1.407829202307E+01  1.413403827571E+01  1.419038706052E+01
  1.424159649761E+01  1.431380529394E+01  1.434223985346E+01  1.444626778830E+01
  1.446216057259E+01  1.455085253982E+01  1.458405841768E+01  1.466382607398E+01
  1.472157914322E+01  1.474503572955E+01  1.479041461437E+01  1.481237625858E+01
  1.488648462922E+01  1.492437450116E+01  1.501455568754E+01  1.506895748859E+01
  1.512632439059E+01  1.526091460206E+01  1.529320196024E+01  1.533889735602E+01
  1.537714434566E+01  1.545507833044E+01  1.547834519597E+01  1.555028309642E+01
  1.556824886563E+01  1.563058994396E+01  1.566137730290E+01  1.571007792137E+01
  1.575889326015E+01  1.581868716007E+01  1.588428956048E+01  1.592104037161E+01
  1.599336346402E+01  1.602705973017E+01  1.606627294251E+01  1.612247548653E+01
  1.618827439402E+01  1.623951795405E+01  1.628501598232E+01  1.635238713785E+01
  1.639608007351E+01  1.642306196809E+01  1.649778721341E+01  1.653979092297E+01
  1.662346607348E+01  1.666195917735E+01  1.670862921629E+01  1.678869852977E+01
  1.686127938131E+01  1.688519877391E+01  1.692697158428E+01  1.699567367099E+01
  1.708815092014E+01  1.714972162231E+01  1.718987365733E+01  1.724300337382E+01
  1.729937800774E+01  1.738612818743E+01  1.743102558933E+01  1.749422340500E+01
  1.751061885388E+01  1.756697120085E+01  1.759765500898E+01  1.765264897881E+01
  1.774303599634E+01  1.779755562219E+01  1.782132353164E+01  1.787780893859E+01
  1.794444153859E+01  1.801368985216E+01  1.812885674995E+01  1.816280189198E+01
  1.823449055614E+01  1.831894772614E+01  1.837080969453E+01  1.845867831861E+01
  1.850486703426E+01  1.859411075303E+01  1.861683855379E+01  1.869121359100E+01
  1.872620268467E+01  1.875363340899E+01  1.881756988641E+01  1.886579855834E+01
  1.890336230095E+01  1.896143795324E+01  1.899148799163E+01  1.901533126352E+01
  1.908055482293E+01  1.910693317346E+01  1.914561992813E+01  1.916335769020E+01
  1.920216122415E+01  1.924008675595E+01  1.927834259373E+01  1.931663217461E+01
  1.933185904785E+01  1.939391168051E+01  1.944356320644E+01  1.945735329738E+01
  1.948920777184E+01  1.951339576508E+01  1.956572378306E+01  1.960451878208E+01
  1.962812250565E+01  1.964227906303E+01  1.968339398183E+01  1.971941205462E+01
  1.975676545499E+01  1.979562061822E+01  1.982144364010E+01  1.984151802800E+01
  1.987579812948E+01  1.988097249256E+01  1.992156387297E+01  1.995191699616E+01
  1.997235645756E+01  2.001631124900E+01  2.004592877297E+01  2.005825130003E+01
  2.008944054065E+01  2.012347063562E+01  2.015601758791E+01  2.017203633922E+01
  2.021708675640E+01  2.025588603047E+01  2.028140702029E+01  2.030546900486E+01
  2.031826384079E+01  2.034922259566E+01  2.037570855504E+01  2.039957991432E+01
  2.041564399155E+01  2.047958188872E+01  2.049396994092E+01  2.053078806660E+01
  2.056789259473E+01  2.059599281353E+01  2.060264064939E+01  2.063411440379E+01
  2.064506676161E+01  2.066410308843E+01  2.070480854748E+01  2.071709918161E+01
  2.073729048071E+01  2.078227201216E+01  2.080352853491E+01  2.083686812937E+01
  2.087695001743E+01  2.089421988095E+01  2.091656098090E+01  2.094161720993E+01
  2.097752089165E+01  2.100578093877E+01  2.105492076997E+01  2.107355482965E+01
  2.113941658369E+01  2.115951572091E+01  2.119309498444E+01  2.122438402992E+01
  2.125637955950E+01  2.129237667411E+01  2.131422378503E+01  2.132400909812E+01
  2.138108475940E+01  2.142307227848E+01  2.144456538074E+01  2.147854232247E+01
  2.151996094179E+01  2.156733203873E+01  2.157923930817E+01  2.162576167766E+01
  2.168819473277E+01  2.174972409123E+01  2.178033497739E+01  2.181128810425E+01
  2.184528241076E+01  2.188181947154E+01  2.192205937259E+01  2.194253627272E+01
  2.198537388767E+01  2.201336596797E+01  2.204471650058E+01  2.211638797716E+01
  2.214828579327E+01  2.218236425771E+01  2.222699010294E+01  2.225169230344E+01
  2.229991135979E+01  2.234686086012E+01  2.236400579138E+01  2.238655488202E+01
  2.244417918652E+01  2.247119997815E+01  2.250727971375E+01  2.254829751729E+01
  2.260195840233E+01  2.263476937791E+01  2.268695355269E+01  2.271078715801E+01
  2.277497876024E+01  2.284247861684E+01  2.285769278206E+01  2.290286283028E+01
  2.294163583557E+01  2.300389255024E+01  2.303939269482E+01  2.305763947625E+01
  2.314096864242E+01  2.320578008848E+01  2.323139642219E+01  2.328332522785E+01
  2.332308771113E+01  2.336330863126E+01  2.340404553976E+01  2.346808612847E+01
  2.350356098854E+01  2.357564827875E+01  2.361409987331E+01  2.366716754894E+01
  2.370826287864E+01  2.374277776929E+01  2.381952581148E+01  2.382404111008E+01
  2.391564518576E+01  2.395315445458E+01  2.402587279006E+01  2.404566590748E+01
  2.411311332670E+01  2.414821273708E+01  2.423178155562E+01  2.429098716595E+01
  2.432400008960E+01  2.437963114922E+01  2.441013056703E+01  2.445709461309E+01
  2.449415589879E+01  2.456495382237E+01  2.459885682220E+01  2.464348128988E+01
  2.468816403948E+01  2.471170905791E+01  2.474574088472E+01  2.480431514101E+01
  2.487626702804E+01  2.490397937941E+01  2.494964560245E+01  2.500103637612E+01
  2.501942825700E+01  2.508597802837E+01  2.514495061693E+01  2.517639414278E+01
  2.522742950253E+01  2.526179368301E+01  2.534113920164E+01  2.535715585688E+01
  2.543413120961E+01  2.546120060200E+01  2.552984989975E+01  2.559074292592E+01
  2.561450299087E+01  2.566040013000E+01  2.571264962409E+01  2.573932942549E+01
  2.577088356231E+01  2.586114834854E+01  2.590143440870E+01  2.595173623313E+01
  2.601967508528E+01  2.606888477085E+01  2.609625659414E+01  2.617694097479E+01
  2.621311960773E+01  2.628713361839E+01  2.630643679934E+01  2.634342519914E+01
  2.643373902407E+01  2.644325817096E+01  2.648889913859E+01  2.651556043864E+01
  2.660187422951E+01  2.664250951855E+01  2.669183195187E+01  2.672697649204E+01
  2.678501224904E+01  2.683443110690E+01  2.688280253516E+01  2.698805702302E+01
  2.699689492518E+01  2.712294377870E+01  2.714094047481E+01  2.719616281185E+01
  2.728170951396E+01  2.733160339653E+01  2.738312113221E+01  2.745609362796E+01
  2.747448461624E+01  2.755711009102E+01  2.762555439301E+01  2.764296987556E+01
  2.770649875617E+01  2.777477690698E+01  2.786658140075E+01  2.792737550580E+01
  2.797958639292E+01  2.803499777189E+01  2.812044786343E+01  2.814576658711E+01
  2.820458057535E+01  2.828008752303E+01  2.832065517146E+01  2.833811371143E+01
  2.836252813660E+01  2.844267137822E+01  2.849689933078E+01  2.857156314917E+01
  2.860651667689E+01  2.864490187450E+01  2.870358085923E+01  2.878599689174E+01
  2.882206073258E+01  2.886287504931E+01  2.892546598056E+01  2.898857571436E+01
  2.902290487536E+01  2.909401726272E+01  2.915488385569E+01  2.921951795023E+01
  2.928334884546E+01  2.935382330438E+01  2.944619944019E+01  2.960441713351E+01
  2.967002032988E+01  2.969727882899E+01  2.973580084763E+01  2.978594761638E+01
  2.986653062174E+01  2.993564608257E+01  3.004486963883E+01  3.017224272274E+01
  3.018860617437E+01  3.031240278648E+01  3.040523241713E+01  3.050966667745E+01
  3.061807685751E+01  3.077869648509E+01  3.098334396172E+01  3.108465260788E+01
  3.133733894711E+01  3.136245065915E+01  3.145064201594E+01  3.152782036374E+01
  3.156135570625E+01  3.164578401555E+01  3.177067615250E+01  3.180966776208E+01
  3.192820800685E+01  3.199462083357E+01  3.204670912239E+01  3.212309659728E+01
  3.223219010203E+01  3.226565621601E+01  3.236311026751E+01  3.249742988510E+01
  3.255421387816E+01  3.271533959385E+01  3.273944570001E+01  3.278727504861E+01
  3.286268531448E+01  3.295070203979E+01  3.302422908569E+01  3.318400701733E+01
  3.324464560257E+01  3.330132099121E+01  3.334815739788E+01  3.341565324755E+01
  3.350655807405E+01  3.362804023115E+01  3.370348521934E+01  3.384026494506E+01
  3.387785851338E+01  3.399758621170E+01  3.403418495433E+01  3.408115834683E+01
  3.419908517915E+01  3.433476109366E+01  3.438969942512E+01  3.446520782126E+01
  3.454958221826E+01  3.462765924859E+01  3.476084899484E+01  3.481536857370E+01
  3.489544395601E+01  3.494028248114E+01  3.500426923109E+01  3.511956753698E+01
  3.522906120634E+01  3.529805338688E+01  3.538326558654E+01  3.547535969804E+01
  3.561006938537E+01  3.564813073800E+01  3.572806692672E+01  3.576895051781E+01
  3.587686064880E+01  3.594110504505E+01  3.600297108114E+01  3.609657965583E+01
  3.619458985003E+01  3.629251962563E+01  3.640257557454E+01  3.650821179133E+01
  3.660772198471E+01  3.680370939584E+01  3.696943213486E+01  3.719352877121E+01
  3.734475835796E+01  3.741356797290E+01  3.759213055238E+01  3.770683392172E+01
  3.777941172738E+01  3.795778819282E+01  3.813893431704E+01  3.826220834946E+01
  3.856870343758E+01  3.874459766068E+01  3.882150241832E+01  3.900427625250E+01
  3.912064180980E+01  3.938922948956E+01  3.950582049695E+01  3.975870365371E+01
  4.000275689256E+01  4.014313271803E+01  4.039391637972E+01  4.075903714071E+01
  4.105903678022E+01  4.151040168475E+01  4.167140719504E+01  4.193058714457E+01
  4.221814140927E+01  4.233519163566E+01  4.276709133590E+01  4.315740583434E+01
  4.351009830136E+01  4.389929460999E+01  4.419697883145E+01  4.462743752874E+01
  4.485532641646E+01  4.517768355889E+01  4.543640789209E+01  4.559319774190E+01
  4.597647953827E+01  4.627161805369E+01  4.644182166943E+01  4.657978642180E+01
  4.684190077242E+01  4.732909970324E+01  4.740314632432E+01  4.754981622035E+01
  4.788323270672E+01  4.825894164414E+01  4.899807641209E+01  4.982904873683E+01
  5.025718206164E+01  5.161984362069E+01

     </array>
    </property>
    <kpoint coords="  0.09533372  0.05214405  0.00000000" weight="  0.16666667" />
    <property dictRef="siesta:eigenenergies">
     <array units="siestaUnits:ev" size="866" dataType="xsd:double">
 -1.638417172532E+01 -1.627645834098E+01 -1.607678150016E+01 -1.598275492011E+01
 -1.560434928515E+01 -1.551666907044E+01 -1.527760493752E+01 -1.510123033610E+01
 -1.494732600687E+01 -1.490972955857E+01 -1.490125940777E+01 -1.476453824776E+01
 -1.470946343718E+01 -1.465140165579E+01 -1.458324082532E+01 -1.451815051625E+01
 -1.436570645670E+01 -1.430795856010E+01 -1.425732496888E+01 -1.423025332876E+01
 -1.410982323954E+01 -1.399387700160E+01 -1.394147060963E+01 -1.385308624006E+01
 -1.372812870463E+01 -1.368357790897E+01 -1.353646298091E+01 -1.346392304197E+01
 -1.333059850668E+01 -1.318163230466E+01 -1.307303733983E+01 -1.304953978018E+01
 -1.252712715656E+01 -1.249977169135E+01 -1.239860018656E+01 -1.227283578112E+01
 -1.210679150989E+01 -1.197860378679E+01 -1.194646264946E+01 -1.190012434665E+01
 -1.179824132217E+01 -1.166022583754E+01 -1.159048488424E+01 -1.154002378420E+01
 -1.141485366733E+01 -1.140350634988E+01 -1.130696594911E+01 -1.126567373323E+01
 -1.118783696862E+01 -1.110531818331E+01 -1.105929105956E+01 -1.095093909139E+01
 -1.085573606069E+01 -1.081439323823E+01 -1.065261874776E+01 -1.055594064716E+01
 -1.039224409580E+01 -1.035342910808E+01 -9.958085480036E+00 -9.831174276341E+00
 -9.700779338490E+00 -9.663081813582E+00 -8.467686246779E+00 -8.397294489341E+00
 -8.385253356056E+00 -8.363693295744E+00 -8.352023756540E+00 -8.336678048919E+00
 -8.283289972506E+00 -8.218983688311E+00 -8.203195907538E+00 -8.056984353440E+00
 -7.732677979895E+00 -7.652890811668E+00 -7.599425189836E+00 -7.564236917012E+00
 -7.532739646181E+00 -7.513894915026E+00 -7.452041724800E+00 -7.363567806835E+00
 -7.226972380967E+00 -7.207095510494E+00 -7.171348456238E+00 -7.064353746652E+00
 -7.032393999575E+00 -6.999626771611E+00 -6.978710146285E+00 -6.936979582956E+00
 -6.920017006713E+00 -6.885790522729E+00 -6.830433700710E+00 -6.800068356985E+00
 -6.765961890879E+00 -6.737261788096E+00 -6.650923449260E+00 -6.620760174146E+00
 -6.540464296754E+00 -6.507865244253E+00 -6.465288226481E+00 -6.411747841953E+00
 -6.371628814445E+00 -6.343758567803E+00 -6.322268982570E+00 -6.221539211865E+00
 -6.173717355420E+00 -6.142203311647E+00 -6.091449311415E+00 -6.035695190635E+00
 -6.001740062428E+00 -5.962262581995E+00 -5.898235575801E+00 -5.843833902246E+00
 -5.760543039602E+00 -5.724233190672E+00 -5.683006738810E+00 -5.661442485636E+00
 -5.638735197351E+00 -5.591425590167E+00 -5.555099460737E+00 -5.510263933992E+00
 -5.416091296283E+00 -5.370706927875E+00 -5.334985986522E+00 -5.239093169817E+00
 -5.190741123282E+00 -5.140082744535E+00 -5.052816319961E+00 -5.044202178000E+00
 -4.995009781800E+00 -4.913836428377E+00 -4.893882210674E+00 -4.680743120110E+00
 -4.610060510615E+00 -4.526682070052E+00 -4.448840469899E+00 -4.230822092974E+00
 -3.543469156170E+00 -3.430249895824E+00 -3.129229055368E+00 -3.061075575623E+00
 -2.897519791346E+00 -2.840739008180E+00 -2.801317181488E+00 -2.707390232351E+00
 -2.673100099933E+00 -2.600754969940E+00 -2.530626922094E+00 -2.465239465196E+00
 -2.407416093685E+00 -2.391483666221E+00 -2.329343809435E+00 -2.241007110505E+00
 -2.193394159303E+00 -2.163303429884E+00 -2.103431356723E+00 -2.064304889941E+00
 -1.978964838856E+00 -1.951710234895E+00 -1.922984828822E+00 -1.860778460575E+00
 -1.834678082617E+00 -1.806696392352E+00 -1.731343302032E+00 -1.653067137765E+00
 -1.619909278862E+00 -1.567194464761E+00 -1.486117234115E+00 -1.397739039678E+00
 -1.364327642680E+00 -1.255652048748E+00 -1.177440107294E+00 -1.126725944770E+00
 -1.056238136450E+00 -1.018161332098E+00 -9.705724710292E-01 -9.177701160562E-01
 -8.579349785129E-01 -8.032549037705E-01 -6.551786677785E-01 -6.188446405822E-01
 -5.487146073675E-01 -4.608279259496E-01 -3.960802827488E-01 -3.596376303846E-01
 -3.335980331548E-01 -2.736823435924E-01 -2.276900981250E-01 -2.095486463541E-01
 -1.564323531440E-01 -8.594157306736E-02 -6.644298382837E-02 -2.548410906983E-02
  5.313059526420E-02  1.361572916094E-01  1.645735590231E-01  1.965323797004E-01
  2.244842018950E-01  2.665288153513E-01  3.028553083086E-01  3.345934427908E-01
  3.762260123845E-01  4.533158473789E-01  5.954128702172E-01  6.582091007890E-01
  6.745751913353E-01  7.166485551387E-01  7.422721042863E-01  7.734017726391E-01
  8.328762093075E-01  8.856551553883E-01  9.831986754517E-01  1.021576333456E+00
  1.130141986425E+00  1.151164607951E+00  1.219596115653E+00  1.279606628311E+00
  1.311659843623E+00  1.383564277046E+00  1.438005234598E+00  1.483478041489E+00
  1.545402979235E+00  1.612839606306E+00  1.687426148509E+00  1.729836972122E+00
  1.795886242400E+00  1.849674958514E+00  1.872871367882E+00  1.936277729600E+00
  2.007881343929E+00  2.088958192111E+00  2.113078749418E+00  2.227217490243E+00
  2.268268007409E+00  2.395040195401E+00  2.443783201940E+00  2.516599921408E+00
  2.651537132530E+00  2.685081004612E+00  2.788926899713E+00  2.826876852077E+00
  2.996878154512E+00  3.030849465284E+00  3.136243406220E+00  3.268695934971E+00
  3.325385788781E+00  3.419905005346E+00  3.537741178210E+00  3.570641185057E+00
  3.668261922461E+00  3.693892979573E+00  3.844354743000E+00  3.901986317777E+00
  3.968720328027E+00  4.147369459365E+00  4.192353676506E+00  4.270497182716E+00
  4.364011894030E+00  4.484494053480E+00  4.580549727801E+00  4.909071750311E+00
  5.061277965050E+00  5.165669888179E+00  5.230344454346E+00  5.285491578526E+00
  5.429983438406E+00  5.607912511614E+00  5.741865965728E+00  5.883438867457E+00
  6.090338830415E+00  6.373826421146E+00  6.386005461024E+00  6.530521705479E+00
  6.571224519625E+00  6.748678142040E+00  6.866560846144E+00  6.892596440724E+00
  7.047576019404E+00  7.115306351845E+00  7.130131848488E+00  7.350520294555E+00
  7.428295747833E+00  7.860935223251E+00  7.904272315922E+00  7.967513372222E+00
  8.035751997556E+00  8.057317036174E+00  8.107968353913E+00  8.187637909215E+00
  8.281434102565E+00  8.350479074125E+00  8.375294355580E+00  8.427797616373E+00
  8.470756616767E+00  8.546209868816E+00  8.613529766882E+00  8.694160688899E+00
  8.751043883532E+00  8.796012355130E+00  8.844318674699E+00  8.870505046636E+00
  8.893970892371E+00  8.930932892771E+00  8.967260342383E+00  9.000546161406E+00
  9.051162757084E+00  9.091259654921E+00  9.117080015358E+00  9.189918869517E+00
  9.204328924684E+00  9.233172090910E+00  9.311131464416E+00  9.353089132124E+00
  9.442030717675E+00  9.465701267329E+00  9.493771035711E+00  9.554851051033E+00
  9.599696945326E+00  9.621223828654E+00  9.662091461353E+00  9.725696864325E+00
  9.761011769691E+00  9.791556103097E+00  9.804007239871E+00  9.840366647465E+00
  9.910594603405E+00  9.962622015441E+00  9.980284500984E+00  1.001953672299E+01
  1.010533212749E+01  1.015669378283E+01  1.017475519091E+01  1.027419250575E+01
  1.030371781387E+01  1.036027292510E+01  1.039846043577E+01  1.048347084656E+01
  1.054855059471E+01  1.059367221733E+01  1.066779104152E+01  1.071552649256E+01
  1.075720210674E+01  1.086372399595E+01  1.088698382277E+01  1.092125694763E+01
  1.096485010393E+01  1.101798623204E+01  1.108563277166E+01  1.111770432061E+01
  1.116074933719E+01  1.120609204218E+01  1.128387620449E+01  1.141156372624E+01
  1.143432257239E+01  1.143684334774E+01  1.150482569893E+01  1.155022444016E+01
  1.160739313077E+01  1.165621699789E+01  1.169471200292E+01  1.176076050239E+01
  1.182535474893E+01  1.189062810994E+01  1.192829082626E+01  1.194726328715E+01
  1.207867740325E+01  1.216291706547E+01  1.222735985808E+01  1.226885826064E+01
  1.230547627796E+01  1.232781437329E+01  1.236507138868E+01  1.241088700363E+01
  1.248358264152E+01  1.253010855960E+01  1.257798983312E+01  1.261875149246E+01
  1.265616268673E+01  1.270705348945E+01  1.280857080721E+01  1.285517195724E+01
  1.288131754215E+01  1.295382774519E+01  1.302074562763E+01  1.304459520601E+01
  1.311674539062E+01  1.314988022423E+01  1.318848809370E+01  1.322918926918E+01
  1.330692333779E+01  1.336583331055E+01  1.343882978109E+01  1.346354543625E+01
  1.351481151311E+01  1.354543436987E+01  1.359498218276E+01  1.368618236228E+01
  1.371595799465E+01  1.377259188652E+01  1.386647581112E+01  1.392996799464E+01
  1.399860497063E+01  1.403080714591E+01  1.411844288406E+01  1.414539508055E+01
  1.420108824294E+01  1.425838715835E+01  1.438402537647E+01  1.440951711100E+01
  1.451778889875E+01  1.454075859750E+01  1.459175216659E+01  1.465158547240E+01
  1.475778330870E+01  1.478826939763E+01  1.485002229540E+01  1.492743724829E+01
  1.499068108601E+01  1.505585742013E+01  1.512310317925E+01  1.514808538629E+01
  1.522445192799E+01  1.529636188343E+01  1.534584111874E+01  1.541392019669E+01
  1.550037626105E+01  1.554899105902E+01  1.565137395825E+01  1.569809444801E+01
  1.576340536615E+01  1.580381991723E+01  1.589963582871E+01  1.594931732609E+01
  1.602306155551E+01  1.607251871198E+01  1.608654390973E+01  1.614142878091E+01
  1.619417358974E+01  1.627832206583E+01  1.632478324687E+01  1.635335982603E+01
  1.645607137106E+01  1.649778537157E+01  1.653898905295E+01  1.657409388917E+01
  1.660419886359E+01  1.665989995676E+01  1.671488018167E+01  1.677498938497E+01
  1.679637692343E+01  1.687260585190E+01  1.694888760383E+01  1.701746661741E+01
  1.710742091453E+01  1.715707289380E+01  1.720116249886E+01  1.724030936014E+01
  1.734778090571E+01  1.741786671650E+01  1.745966509017E+01  1.748212233147E+01
  1.759196170436E+01  1.767801947658E+01  1.769160371544E+01  1.775702793545E+01
  1.782672955301E+01  1.786158906654E+01  1.790782176763E+01  1.801068743732E+01
  1.809645418699E+01  1.813019976782E+01  1.818343749930E+01  1.820964550581E+01
  1.830568148897E+01  1.832995607078E+01  1.839870588483E+01  1.842920420501E+01
  1.849263243292E+01  1.852152156279E+01  1.860931190983E+01  1.864516978862E+01
  1.869431888036E+01  1.876576096053E+01  1.880226207368E+01  1.886978316004E+01
  1.888779123553E+01  1.893163102746E+01  1.895087602664E+01  1.899929921564E+01
  1.901448915191E+01  1.906740205962E+01  1.913419467011E+01  1.916514165703E+01
  1.924450342050E+01  1.926722351537E+01  1.931025990323E+01  1.934215551029E+01
  1.938264611747E+01  1.942848661717E+01  1.948781498075E+01  1.949830052197E+01
  1.951673811530E+01  1.953573919850E+01  1.958616395826E+01  1.961851823261E+01
  1.965252134320E+01  1.970005787822E+01  1.972198110992E+01  1.976696339967E+01
  1.979268129308E+01  1.982905532703E+01  1.984246462425E+01  1.988690983948E+01
  1.992669738208E+01  1.997796944995E+01  2.000604658771E+01  2.005374214808E+01
  2.006135157296E+01  2.009216883870E+01  2.012070397748E+01  2.014367386493E+01
  2.017664222771E+01  2.020846601234E+01  2.024753266759E+01  2.028780560729E+01
  2.030782607762E+01  2.034528366038E+01  2.038241742296E+01  2.040521605688E+01
  2.044889193774E+01  2.045891779746E+01  2.048521950109E+01  2.052704173860E+01
  2.056128235834E+01  2.057445796778E+01  2.060390361245E+01  2.061399423528E+01
  2.064792139374E+01  2.066979679519E+01  2.069812601389E+01  2.072963665577E+01
  2.075926590954E+01  2.080496758759E+01  2.081618034473E+01  2.086358247444E+01
  2.089570780579E+01  2.094049500127E+01  2.097012135062E+01  2.101807929886E+01
  2.105547149037E+01  2.107942335343E+01  2.110454698477E+01  2.112391893019E+01
  2.116415037344E+01  2.118420618243E+01  2.122959733358E+01  2.127996350808E+01
  2.129369651867E+01  2.131947831463E+01  2.134951885342E+01  2.136770135836E+01
  2.142562206587E+01  2.143785499628E+01  2.146413884648E+01  2.150180808886E+01
  2.151124062698E+01  2.154000280717E+01  2.157568718991E+01  2.162256187568E+01
  2.163938650130E+01  2.167514077615E+01  2.171036913476E+01  2.177513340496E+01
  2.180342752986E+01  2.185758544516E+01  2.188374513170E+01  2.190238974207E+01
  2.193872408353E+01  2.196541497951E+01  2.199936982013E+01  2.202620789860E+01
  2.207402659342E+01  2.211462966690E+01  2.216389145639E+01  2.221692193199E+01
  2.223407617594E+01  2.228339786673E+01  2.229233496625E+01  2.232427630074E+01
  2.237814285097E+01  2.241184231338E+01  2.242119736785E+01  2.243104129778E+01
  2.250601995136E+01  2.257464838329E+01  2.259162210091E+01  2.261721418068E+01
  2.264054707322E+01  2.270175116765E+01  2.274997406981E+01  2.276723586946E+01
  2.279608316268E+01  2.285862841086E+01  2.292703204782E+01  2.297377326734E+01
  2.301826617390E+01  2.307085552664E+01  2.310005183242E+01  2.314452174609E+01
  2.321706162536E+01  2.323875423951E+01  2.331365139421E+01  2.336309782254E+01
  2.338107273941E+01  2.345833333711E+01  2.350363464800E+01  2.353050391890E+01
  2.357384529009E+01  2.361779614645E+01  2.365759547177E+01  2.372503895173E+01
  2.377070398432E+01  2.381387775572E+01  2.385735271498E+01  2.391596791946E+01
  2.396026461693E+01  2.400259753211E+01  2.404924375830E+01  2.412596416836E+01
  2.416971563395E+01  2.423107725665E+01  2.426830611642E+01  2.431447918292E+01
  2.434975885653E+01  2.440267011058E+01  2.445588256314E+01  2.452781386249E+01
  2.455295694987E+01  2.458130847793E+01  2.461231671434E+01  2.465274580848E+01
  2.470691595107E+01  2.475673480776E+01  2.479477596958E+01  2.485910042146E+01
  2.488078568544E+01  2.491837305589E+01  2.497094310769E+01  2.500459764007E+01
  2.504098121932E+01  2.510114667104E+01  2.511152466918E+01  2.517903740349E+01
  2.525937769782E+01  2.527361592967E+01  2.533012987251E+01  2.540110115628E+01
  2.543214146584E+01  2.546110892711E+01  2.549817330599E+01  2.552765840757E+01
  2.556735314292E+01  2.567843644988E+01  2.571209160248E+01  2.573879047233E+01
  2.577796892347E+01  2.584454046465E+01  2.594625352266E+01  2.598221417736E+01
  2.608551856023E+01  2.609754688904E+01  2.618526549526E+01  2.623423230701E+01
  2.627527385556E+01  2.631993585281E+01  2.638348019467E+01  2.643089609473E+01
  2.649105765390E+01  2.653939384059E+01  2.660084710540E+01  2.665811977702E+01
  2.670936823999E+01  2.677999927898E+01  2.681061615473E+01  2.690152905546E+01
  2.693167426019E+01  2.697134679809E+01  2.704384164755E+01  2.708826514994E+01
  2.716878296949E+01  2.719028885225E+01  2.724695335075E+01  2.728580191825E+01
  2.734664635632E+01  2.739887351743E+01  2.747637223266E+01  2.752851173621E+01
  2.754527681232E+01  2.758676711998E+01  2.764336499059E+01  2.767650693251E+01
  2.773406977077E+01  2.781855486092E+01  2.789140474662E+01  2.795590045428E+01
  2.800162356865E+01  2.802931022225E+01  2.808968877349E+01  2.811891679408E+01
  2.815642060107E+01  2.816646103692E+01  2.825034154509E+01  2.831372602641E+01
  2.838128738114E+01  2.841455852592E+01  2.843322778337E+01  2.849149671145E+01
  2.850187451195E+01  2.859135681571E+01  2.860843048617E+01  2.865829486392E+01
  2.870378961545E+01  2.875511607824E+01  2.885935629654E+01  2.894994308637E+01
  2.903801649690E+01  2.909376161852E+01  2.916207942922E+01  2.921306922739E+01
  2.931259502061E+01  2.936933493546E+01  2.942594302901E+01  2.945491711186E+01
  2.951497530485E+01  2.958861655809E+01  2.964597436461E+01  2.968540907460E+01
  2.973973264789E+01  2.987708583692E+01  2.992089535173E+01  2.997440805037E+01
  3.001660064793E+01  3.009576364482E+01  3.027613947706E+01  3.035768403342E+01
  3.048475982940E+01  3.062251598932E+01  3.070533022631E+01  3.083384290416E+01
  3.090863426572E+01  3.097129280741E+01  3.106762858767E+01  3.107682018425E+01
  3.115906359203E+01  3.121873301000E+01  3.129167439128E+01  3.134455046780E+01
  3.137456371948E+01  3.150027675784E+01  3.160115844763E+01  3.163583111580E+01
  3.176639373105E+01  3.185742884921E+01  3.199859060788E+01  3.202979009409E+01
  3.219470322831E+01  3.222297688089E+01  3.240865897182E+01  3.244254747689E+01
  3.253127651139E+01  3.261035151411E+01  3.264343665636E+01  3.278516525271E+01
  3.289544470872E+01  3.311433036173E+01  3.316729835322E+01  3.329853499847E+01
  3.344291655920E+01  3.352870542754E+01  3.359958308576E+01  3.365087369392E+01
  3.372834864621E+01  3.388969998817E+01  3.400803465879E+01  3.403798129797E+01
  3.413645896971E+01  3.418009276321E+01  3.430224492452E+01  3.432783759533E+01
  3.443282344887E+01  3.448687462825E+01  3.455353616387E+01  3.461162501464E+01
  3.469805699143E+01  3.475082165555E+01  3.488184128041E+01  3.496480678112E+01
  3.499350465994E+01  3.506566374629E+01  3.510250765824E+01  3.515891496946E+01
  3.529021107434E+01  3.536652332799E+01  3.547021081852E+01  3.555311876916E+01
  3.560058552564E+01  3.567701581517E+01  3.576697302771E+01  3.581583129366E+01
  3.592687426388E+01  3.595476202396E+01  3.605989240860E+01  3.619191427352E+01
  3.626433000295E+01  3.631845221296E+01  3.653186486559E+01  3.662463782354E+01
  3.676636582027E+01  3.700894838701E+01  3.717683350435E+01  3.726869276751E+01
  3.745141119533E+01  3.761283585273E+01  3.784414076049E+01  3.798060905002E+01
  3.825759161289E+01  3.842490957171E+01  3.856000613776E+01  3.865677856694E+01
  3.879318000577E+01  3.905983198344E+01  3.932687791232E+01  3.948794175921E+01
  3.962417684826E+01  3.973503692200E+01  3.998064697052E+01  4.038765828336E+01
  4.085962683457E+01  4.115407248520E+01  4.141876423563E+01  4.194230997301E+01
  4.243967134518E+01  4.310975963048E+01  4.418292048271E+01  4.436428371874E+01
  4.470675590247E+01  4.518887978266E+01  4.546302755260E+01  4.552765248144E+01
  4.580859996666E+01  4.619629694599E+01  4.639953718528E+01  4.672482234546E+01
  4.690905935835E+01  4.724079350931E+01  4.744531211013E+01  4.804969892096E+01
  4.813168863464E+01  4.825759948427E+01  4.842341432534E+01  4.867342499783E+01
  4.953939952911E+01  5.019416017290E+01  5.052256002572E+01  5.129246569777E+01
  5.161325314682E+01  5.287465341885E+01

     </array>
    </property>
    <kpoint coords="  0.12543910  0.15643214  0.00000000" weight="  0.16666667" />
    <property dictRef="siesta:eigenenergies">
     <array units="siestaUnits:ev" size="866" dataType="xsd:double">
 -1.615105959846E+01 -1.612533461774E+01 -1.592840543560E+01 -1.586941310218E+01
 -1.574494793275E+01 -1.546036999070E+01 -1.540172619118E+01 -1.523062888575E+01
 -1.520192843356E+01 -1.514774101726E+01 -1.492587323486E+01 -1.486200349158E+01
 -1.480727463481E+01 -1.479626150184E+01 -1.469673849927E+01 -1.463768159589E+01
 -1.450506656740E+01 -1.447634868809E+01 -1.442769611224E+01 -1.417753844150E+01
 -1.411271417701E+01 -1.408065960937E+01 -1.391388684672E+01 -1.386794128054E+01
 -1.382255264130E+01 -1.370395997097E+01 -1.364387640110E+01 -1.348405091826E+01
 -1.341030886003E+01 -1.326993068216E+01 -1.325820369767E+01 -1.320106618302E+01
 -1.236255132574E+01 -1.231501304092E+01 -1.225437397522E+01 -1.208222062218E+01
 -1.201374616707E+01 -1.198732709854E+01 -1.178538615165E+01 -1.166249995591E+01
 -1.157995294858E+01 -1.152546366690E+01 -1.149447795418E+01 -1.148543973610E+01
 -1.137508495174E+01 -1.132929484160E+01 -1.124186306736E+01 -1.100552599182E+01
 -1.094625334004E+01 -1.085147275238E+01 -1.078698899780E+01 -1.060744297803E+01
 -1.049031761363E+01 -1.042925363726E+01 -1.033223494010E+01 -1.023787733059E+01
 -1.003158308235E+01 -9.920928111396E+00 -9.871200471931E+00 -9.834861646199E+00
 -9.411445619661E+00 -8.830368978384E+00 -8.778500895167E+00 -8.594855115569E+00
 -8.509978028812E+00 -8.428533949661E+00 -8.361707973048E+00 -8.350224682192E+00
 -8.311468309112E+00 -8.302930441587E+00 -8.240225261208E+00 -7.949207259592E+00
 -7.881951049100E+00 -7.817939899128E+00 -7.784456179247E+00 -7.752476368651E+00
 -7.689759757932E+00 -7.675299461874E+00 -7.644602861436E+00 -7.626566721445E+00
 -7.606368066044E+00 -7.556042137695E+00 -7.534867005726E+00 -7.493439186832E+00
 -7.439576906423E+00 -7.328414382565E+00 -7.299397578448E+00 -7.117022654495E+00
 -7.067705149355E+00 -7.050164905065E+00 -7.020714012552E+00 -6.996349882732E+00
 -6.970150253594E+00 -6.936794223888E+00 -6.891773143508E+00 -6.853524662366E+00
 -6.799499299028E+00 -6.701382386027E+00 -6.656382531291E+00 -6.600885641782E+00
 -6.575980144390E+00 -6.541219011309E+00 -6.498145907654E+00 -6.478670339734E+00
 -6.411126780848E+00 -6.400215187353E+00 -6.368256731944E+00 -6.346862517725E+00
 -6.296899293035E+00 -6.244024800782E+00 -6.162685156036E+00 -6.068045364253E+00
 -5.983337258332E+00 -5.944149684244E+00 -5.900206814658E+00 -5.828163004884E+00
 -5.764060573597E+00 -5.701934670180E+00 -5.669449863765E+00 -5.595989573730E+00
 -5.568880093114E+00 -5.518520980948E+00 -5.469092915265E+00 -5.356769498917E+00
 -5.305325074537E+00 -5.276306561264E+00 -5.121658805314E+00 -5.099983002700E+00
 -5.036082114946E+00 -4.981095826135E+00 -4.917678405300E+00 -4.888023173438E+00
 -4.617784225576E+00 -4.561880544478E+00 -4.526513769554E+00 -4.389538732390E+00
 -3.685772116882E+00 -3.531674410640E+00 -2.587621633775E+00 -2.525996074365E+00
 -2.463541135801E+00 -2.436411689048E+00 -2.362755387221E+00 -2.266340876059E+00
 -2.230862199799E+00 -2.157201880811E+00 -2.087776137006E+00 -2.035219205228E+00
 -2.018123710872E+00 -1.986999576929E+00 -1.974091846819E+00 -1.923349889575E+00
 -1.886359716458E+00 -1.808848566993E+00 -1.779543931206E+00 -1.742291562217E+00
 -1.705042082635E+00 -1.670812027877E+00 -1.546844318892E+00 -1.529813323995E+00
 -1.477641034123E+00 -1.419776953141E+00 -1.322529360230E+00 -1.175506187192E+00
 -1.116594015764E+00 -1.069648420702E+00 -1.031755350575E+00 -9.992705451663E-01
 -9.580013557426E-01 -9.229663745700E-01 -8.640597763638E-01 -8.271209193555E-01
 -7.242016174057E-01 -6.906875666510E-01 -6.676114732793E-01 -5.732451522836E-01
 -4.753992006420E-01 -4.598778908153E-01 -3.490963205186E-01 -3.389199944558E-01
 -2.981333209041E-01 -2.809673543911E-01 -2.391437516426E-01 -2.222593876432E-01
 -1.643254760333E-01 -1.326716028796E-01 -5.335180522074E-02 -3.836797757513E-03
  5.080142013241E-02  6.345796682745E-02  1.395314665186E-01  1.751300650553E-01
  2.391201087641E-01  2.794972660199E-01  3.373668837522E-01  3.888431820746E-01
  4.020329686674E-01  4.732184147672E-01  5.204946732993E-01  6.242676203238E-01
  6.752174183699E-01  6.996027311048E-01  7.445035623434E-01  8.016640673553E-01
  8.390162698044E-01  8.845403996957E-01  9.383887236989E-01  9.801832414076E-01
  9.927199335649E-01  1.083740245436E+00  1.135407043636E+00  1.207304262080E+00
  1.261523753162E+00  1.325922097033E+00  1.351936397568E+00  1.379472188636E+00
  1.520023118968E+00  1.557071265094E+00  1.589598704976E+00  1.603891268537E+00
  1.670476894486E+00  1.791418641567E+00  1.868097863748E+00  1.897383494582E+00
  1.911382184637E+00  1.956630072840E+00  1.993724908770E+00  2.045391881951E+00
  2.124067760362E+00  2.154586942162E+00  2.194190495903E+00  2.249347849304E+00
  2.314669354406E+00  2.326496396811E+00  2.354341685587E+00  2.406865452786E+00
  2.440177293545E+00  2.522293998866E+00  2.605611515046E+00  2.679412105223E+00
  2.694883114846E+00  2.792899169652E+00  2.804878983881E+00  2.873114154394E+00
  2.910258635507E+00  3.001326498449E+00  3.034242617399E+00  3.063801360537E+00
  3.089699666056E+00  3.124512400096E+00  3.183009650426E+00  3.237093211717E+00
  3.316995859707E+00  3.478893532607E+00  3.498310402023E+00  3.524699694301E+00
  3.558706749669E+00  3.645110097533E+00  3.842016908864E+00  3.950677267025E+00
  4.066848048528E+00  4.158247851494E+00  4.172493004122E+00  4.537903288393E+00
  4.856688136453E+00  5.170105470380E+00  5.380811906858E+00  5.422841025992E+00
  5.447223026099E+00  5.477751677841E+00  5.552820103508E+00  5.619690984236E+00
  5.673323322261E+00  5.713349620086E+00  6.332680422821E+00  6.478431336793E+00
  6.703977919288E+00  6.842855954087E+00  6.946889807174E+00  7.032925739289E+00
  7.258133171468E+00  7.730203959539E+00  7.774614600669E+00  7.858844417127E+00
  7.896080133487E+00  7.927330166209E+00  8.115386391009E+00  8.130250873926E+00
  8.214700861759E+00  8.276622136928E+00  8.358762060063E+00  8.383319221153E+00
  8.407258892525E+00  8.480824105814E+00  8.584104541052E+00  8.604306888718E+00
  8.685176510192E+00  8.742203580523E+00  8.744325889247E+00  8.770235081760E+00
  8.801189466957E+00  8.863817190941E+00  8.905954985529E+00  8.943630408774E+00
  8.991778391422E+00  9.020896099309E+00  9.045915355635E+00  9.057978666846E+00
  9.096376298319E+00  9.157976592601E+00  9.165623724475E+00  9.254360974269E+00
  9.302419423312E+00  9.330224014056E+00  9.360201119946E+00  9.397466772436E+00
  9.420013817385E+00  9.460533173914E+00  9.498208871848E+00  9.500708152282E+00
  9.551395251601E+00  9.580270559734E+00  9.625081548142E+00  9.683652012447E+00
  9.695681594231E+00  9.788189686184E+00  9.835509903698E+00  9.883894127066E+00
  9.923468542690E+00  9.973472547342E+00  1.006312147835E+01  1.013102954351E+01
  1.015545281786E+01  1.024089916795E+01  1.028925456128E+01  1.034484842278E+01
  1.048326565628E+01  1.049869741029E+01  1.060924046910E+01  1.064142589335E+01
  1.074942540352E+01  1.077116198672E+01  1.080844399703E+01  1.089518854837E+01
  1.097308843632E+01  1.103192129814E+01  1.109067934371E+01  1.110499116502E+01
  1.115757228678E+01  1.122699145968E+01  1.123670564554E+01  1.128360755415E+01
  1.131078405370E+01  1.138912122101E+01  1.147946348229E+01  1.151552096213E+01
  1.154992414903E+01  1.163393067209E+01  1.165577980214E+01  1.173822040040E+01
  1.181355912168E+01  1.189858022277E+01  1.194324791249E+01  1.203801857700E+01
  1.219900941629E+01  1.222440738235E+01  1.230609235096E+01  1.234329082007E+01
  1.239463014103E+01  1.242334660100E+01  1.249195111374E+01  1.255434872068E+01
  1.256295500829E+01  1.262639369429E+01  1.279836104956E+01  1.285316905315E+01
  1.291438522684E+01  1.294923450621E+01  1.301447264383E+01  1.311109396469E+01
  1.314838611823E+01  1.316498435504E+01  1.327197615931E+01  1.331471047862E+01
  1.335814033766E+01  1.341706442657E+01  1.343603708059E+01  1.350714469012E+01
  1.352743863575E+01  1.363427919633E+01  1.368323790321E+01  1.374588060511E+01
  1.376947988053E+01  1.382902566842E+01  1.383760502183E+01  1.394329952654E+01
  1.398887369215E+01  1.404445646825E+01  1.407087223286E+01  1.415983767991E+01
  1.421868869747E+01  1.428578835806E+01  1.433199299650E+01  1.441918592928E+01
  1.445937713556E+01  1.455784621160E+01  1.461165138093E+01  1.468295455482E+01
  1.472297728721E+01  1.480244073510E+01  1.481696696675E+01  1.485883254221E+01
  1.489743947828E+01  1.500082734463E+01  1.505659592370E+01  1.515344307892E+01
  1.519834315312E+01  1.528111467654E+01  1.532778219481E+01  1.535915326784E+01
  1.538503670065E+01  1.543109599161E+01  1.547715191387E+01  1.552968614395E+01
  1.558700530802E+01  1.561995011073E+01  1.569338490741E+01  1.573206778556E+01
  1.578716622549E+01  1.580931008737E+01  1.589794661644E+01  1.595952989658E+01
  1.598439085246E+01  1.603698943172E+01  1.610042076878E+01  1.614779781765E+01
  1.617249272683E+01  1.622157322189E+01  1.625209086697E+01  1.636147577242E+01
  1.644912611572E+01  1.647023650722E+01  1.656386282340E+01  1.658333868301E+01
  1.661571539887E+01  1.668384610404E+01  1.673412765598E+01  1.678984705705E+01
  1.687347443097E+01  1.691492744325E+01  1.698514665100E+01  1.700661829458E+01
  1.716240042968E+01  1.719732184234E+01  1.723940804156E+01  1.727166044556E+01
  1.730665398330E+01  1.733679107322E+01  1.734478310315E+01  1.738797410141E+01
  1.740974225090E+01  1.750816031231E+01  1.759374811630E+01  1.762698164451E+01
  1.768254998758E+01  1.770484324839E+01  1.779830685532E+01  1.791781317801E+01
  1.798066222614E+01  1.805104285545E+01  1.811579629688E+01  1.817340411773E+01
  1.821609941382E+01  1.836477213840E+01  1.839759604317E+01  1.843424087795E+01
  1.847888376852E+01  1.850514476191E+01  1.858661596022E+01  1.866207265730E+01
  1.873099291820E+01  1.877190121332E+01  1.879308629330E+01  1.882969021609E+01
  1.888995761290E+01  1.891905949346E+01  1.897300245290E+01  1.900590033196E+01
  1.904742545602E+01  1.906659535266E+01  1.910332499779E+01  1.918092026157E+01
  1.920775409362E+01  1.923098479267E+01  1.924813363927E+01  1.927622048291E+01
  1.931987111548E+01  1.937551760506E+01  1.939378010956E+01  1.940476065538E+01
  1.942347901979E+01  1.946013943261E+01  1.952001519509E+01  1.955931544751E+01
  1.960411930952E+01  1.963416062621E+01  1.965810874246E+01  1.971735140635E+01
  1.974223708530E+01  1.975544987187E+01  1.979625929445E+01  1.982152654095E+01
  1.988768518844E+01  1.990093172399E+01  1.991698130045E+01  1.996114922871E+01
  1.996585204630E+01  1.999654395739E+01  2.000892897786E+01  2.005197076547E+01
  2.007921965460E+01  2.010389030927E+01  2.010904717963E+01  2.016171217095E+01
  2.018791529046E+01  2.022910377581E+01  2.026727608782E+01  2.028343139844E+01
  2.032827312376E+01  2.034693695168E+01  2.037377561217E+01  2.038456238194E+01
  2.042811764976E+01  2.044853539874E+01  2.046980284601E+01  2.049715510879E+01
  2.051246966153E+01  2.054048028827E+01  2.057643290805E+01  2.060868737049E+01
  2.063735436566E+01  2.065302035794E+01  2.067396929674E+01  2.072836432659E+01
  2.075047563398E+01  2.076825168510E+01  2.079081525884E+01  2.082668395215E+01
  2.085110890374E+01  2.086508139824E+01  2.088762031333E+01  2.092678621215E+01
  2.098058571945E+01  2.105109870375E+01  2.106773345242E+01  2.112212665960E+01
  2.114325705664E+01  2.117878683387E+01  2.121062745949E+01  2.122639018143E+01
  2.127261304537E+01  2.128139335396E+01  2.133245463031E+01  2.135672209380E+01
  2.137848518999E+01  2.143536550475E+01  2.147938956522E+01  2.150487416317E+01
  2.156232515557E+01  2.158243627319E+01  2.160019498471E+01  2.165011422488E+01
  2.168668961900E+01  2.171965374763E+01  2.177415866197E+01  2.180592898374E+01
  2.184041921558E+01  2.185272568620E+01  2.187726122086E+01  2.189534391237E+01
  2.198912858419E+01  2.200376661463E+01  2.203152471400E+01  2.206392852372E+01
  2.213082789424E+01  2.215639874497E+01  2.219464840638E+01  2.223171918784E+01
  2.229251951561E+01  2.231647841176E+01  2.233447276999E+01  2.238821601474E+01
  2.242181114122E+01  2.246057590570E+01  2.254679106240E+01  2.258363367121E+01
  2.264911838258E+01  2.268913143487E+01  2.269567684708E+01  2.275184559853E+01
  2.281418258279E+01  2.284214600379E+01  2.287691046061E+01  2.290216577229E+01
  2.297231220527E+01  2.302505767270E+01  2.312326658485E+01  2.314152732616E+01
  2.317946885204E+01  2.323855051249E+01  2.331632424550E+01  2.337435475736E+01
  2.340480248738E+01  2.344566029178E+01  2.348618686544E+01  2.354679917691E+01
  2.357114610314E+01  2.361682212348E+01  2.367254322595E+01  2.371019335562E+01
  2.373101186439E+01  2.378103376326E+01  2.383496348735E+01  2.387612315453E+01
  2.392011874643E+01  2.396382402256E+01  2.399750674475E+01  2.402433266810E+01
  2.411727662459E+01  2.415317660746E+01  2.426011441998E+01  2.433581520637E+01
  2.434626811311E+01  2.438368405284E+01  2.441000790015E+01  2.444540128818E+01
  2.446433959135E+01  2.455686441210E+01  2.460607626407E+01  2.463462318638E+01
  2.468969590015E+01  2.472096711846E+01  2.476955000667E+01  2.479204429682E+01
  2.484333681746E+01  2.488220245542E+01  2.492120638607E+01  2.497806599218E+01
  2.502586330126E+01  2.505078245740E+01  2.509603429329E+01  2.518782403657E+01
  2.526569208316E+01  2.531714812819E+01  2.535850441449E+01  2.539824545745E+01
  2.543966277532E+01  2.546674074004E+01  2.549153356196E+01  2.551868999375E+01
  2.555954390447E+01  2.569260246245E+01  2.572305307840E+01  2.576102603995E+01
  2.578631710455E+01  2.587252903819E+01  2.593318359824E+01  2.596190024179E+01
  2.598375829250E+01  2.602499246714E+01  2.609587300864E+01  2.612393659293E+01
  2.619122914424E+01  2.623910867648E+01  2.627924503961E+01  2.629191307603E+01
  2.639825601346E+01  2.642515463676E+01  2.653329933500E+01  2.656524966418E+01
  2.662274540743E+01  2.667035967806E+01  2.675747602528E+01  2.679349960870E+01
  2.688347493015E+01  2.691431672089E+01  2.695891356487E+01  2.698963118392E+01
  2.708040670748E+01  2.714284335841E+01  2.720873611872E+01  2.722991640269E+01
  2.732071109971E+01  2.734240706368E+01  2.743553787338E+01  2.747035084129E+01
  2.750540091417E+01  2.754050749141E+01  2.761637197151E+01  2.767052737181E+01
  2.773906297796E+01  2.780236850522E+01  2.788449410143E+01  2.791588227969E+01
  2.793985688632E+01  2.802335425135E+01  2.807318845986E+01  2.811751558126E+01
  2.816559406042E+01  2.823646993674E+01  2.828444956558E+01  2.831187833123E+01
  2.833488203830E+01  2.842140005973E+01  2.846536988812E+01  2.850696280614E+01
  2.857038968758E+01  2.865040268048E+01  2.868032439464E+01  2.872143726883E+01
  2.873459023798E+01  2.879976524921E+01  2.885697387100E+01  2.892650551779E+01
  2.901295698705E+01  2.907301114460E+01  2.925936768906E+01  2.934940285594E+01
  2.943305707319E+01  2.944121843300E+01  2.948164627752E+01  2.953515897130E+01
  2.959835308739E+01  2.971620179141E+01  2.976873204934E+01  2.989019456348E+01
  2.998371524261E+01  3.003242038379E+01  3.010811134725E+01  3.017595310404E+01
  3.025625953336E+01  3.030942531498E+01  3.042089956606E+01  3.044748256716E+01
  3.061955536507E+01  3.075525521884E+01  3.092313958870E+01  3.109151265238E+01
  3.116390559286E+01  3.130373648796E+01  3.136361976619E+01  3.139100315760E+01
  3.151106883438E+01  3.158902642037E+01  3.166930559262E+01  3.171029787437E+01
  3.184951612504E+01  3.196111949380E+01  3.201800732118E+01  3.206476028113E+01
  3.224244813721E+01  3.230542095173E+01  3.239458250188E+01  3.250125252834E+01
  3.259399830354E+01  3.260899756082E+01  3.268795241248E+01  3.276003549533E+01
  3.283264252613E+01  3.294893083853E+01  3.313617703984E+01  3.315688843139E+01
  3.330526451393E+01  3.339726241345E+01  3.341652108087E+01  3.347029912261E+01
  3.358145670835E+01  3.362720020938E+01  3.371554267470E+01  3.379221869845E+01
  3.381675023360E+01  3.396866123961E+01  3.401218289130E+01  3.409032258490E+01
  3.420898555708E+01  3.426038407302E+01  3.431596269142E+01  3.447297299504E+01
  3.452878797312E+01  3.462625751885E+01  3.466649621883E+01  3.491768026722E+01
  3.498084713222E+01  3.507307487738E+01  3.516027909571E+01  3.521093610597E+01
  3.531650372829E+01  3.538749427383E+01  3.546429179713E+01  3.550317384466E+01
  3.552386722209E+01  3.559915461445E+01  3.563768472086E+01  3.577048649291E+01
  3.586538259937E+01  3.588376724311E+01  3.600873905238E+01  3.620831557059E+01
  3.625878814190E+01  3.646651715239E+01  3.660308577813E+01  3.665670049445E+01
  3.679576442860E+01  3.687922124421E+01  3.704035279579E+01  3.725972262478E+01
  3.734524621851E+01  3.748001891625E+01  3.760201856660E+01  3.770924819678E+01
  3.787313484352E+01  3.794680569101E+01  3.810810981247E+01  3.831611807637E+01
  3.839965813809E+01  3.856652416309E+01  3.869722090363E+01  3.890923357944E+01
  3.898086504766E+01  3.922189275903E+01  3.948377941519E+01  3.965971854123E+01
  3.978560154589E+01  4.020111321523E+01  4.070330325391E+01  4.084913245505E+01
  4.104323156587E+01  4.128262090495E+01  4.149166173216E+01  4.185746467234E+01
  4.202908164297E+01  4.236168308000E+01  4.281772531133E+01  4.313487393874E+01
  4.358384611578E+01  4.387328172918E+01  4.411377360881E+01  4.429810520387E+01
  4.455972535055E+01  4.493100006220E+01  4.519914308501E+01  4.536169460415E+01
  4.602460076958E+01  4.625144405186E+01  4.650357945375E+01  4.670567420391E+01
  4.702125858079E+01  4.729320947771E+01  4.743087045982E+01  4.783917364501E+01
  4.819127853315E+01  4.849354335260E+01  4.869018719952E+01  4.966466888936E+01
  5.032161852497E+01  5.109245791277E+01

     </array>
    </property>
   </propertyList>
  </propertyList>
  <propertyList title="Energy Decomposition">
   <property dictRef="siesta:Ebs">
    <scalar dataType="xsd:double" units="siestaUnits:eV">-2566.070658                                                                                        
    </scalar>
   </property>
   <property dictRef="siesta:Eions">
    <scalar dataType="xsd:double" units="siestaUnits:eV">8953.109052                                                                                         
    </scalar>
   </property>
   <property dictRef="siesta:Ena">
    <scalar dataType="xsd:double" units="siestaUnits:eV">1004.705327                                                                                         
    </scalar>
   </property>
   <property dictRef="siesta:Ekin">
    <scalar dataType="xsd:double" units="siestaUnits:eV">2630.444496                                                                                         
    </scalar>
   </property>
   <property dictRef="siesta:Enl">
    <scalar dataType="xsd:double" units="siestaUnits:eV">489.711539                                                                                          
    </scalar>
   </property>
   <property dictRef="siesta:Eldau">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
    </scalar>
   </property>
   <property dictRef="siesta:DEna">
    <scalar dataType="xsd:double" units="siestaUnits:eV">83.816290                                                                                           
    </scalar>
   </property>
   <property dictRef="siesta:Eso">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
    </scalar>
   </property>
   <property dictRef="siesta:DUscf">
    <scalar dataType="xsd:double" units="siestaUnits:eV">7.115019                                                                                            
    </scalar>
   </property>
   <property dictRef="siesta:DUext">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
    </scalar>
   </property>
   <property dictRef="siesta:Enegf">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
    </scalar>
   </property>
   <property dictRef="siesta:Exc">
    <scalar dataType="xsd:double" units="siestaUnits:eV">-5193.244055                                                                                        
    </scalar>
   </property>
   <property dictRef="siesta:Ecorrec">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
    </scalar>
   </property>
   <property dictRef="siesta:Emad">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
    </scalar>
   </property>
   <property dictRef="siesta:Emeta">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
    </scalar>
   </property>
   <property dictRef="siesta:Emm">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
    </scalar>
   </property>
   <property dictRef="siesta:Ekinion">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.000000                                                                                            
    </scalar>
   </property>
   <property dictRef="siesta:EharrsK">
    <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.560434                                                                                        
    </scalar>
   </property>
   <property dictRef="siesta:EtotK">
    <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.560434                                                                                        
    </scalar>
   </property>
   <property dictRef="siesta:FreeEK">
    <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.561503                                                                                        
    </scalar>
   </property>
  </propertyList>
  <propertyList title="Final Energy">
   <property dictRef="siesta:Ebs">
    <scalar dataType="xsd:double" units="siestaUnits:eV">-2566.0706583                                                                                       
    </scalar>
   </property>
   <property dictRef="siesta:Ekin">
    <scalar dataType="xsd:double" units="siestaUnits:eV">2630.4444964                                                                                        
    </scalar>
   </property>
   <property dictRef="siesta:Uscf">
    <scalar dataType="xsd:double" units="siestaUnits:eV">136841.6019267                                                                                      
    </scalar>
   </property>
   <property dictRef="siesta:Eldau">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.0000000                                                                                           
    </scalar>
   </property>
   <property dictRef="siesta:Eso">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.0000000                                                                                           
    </scalar>
   </property>
   <property dictRef="siesta:DUext">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.0000000                                                                                           
    </scalar>
   </property>
   <property dictRef="siesta:Enegf">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.0000000                                                                                           
    </scalar>
   </property>
   <property dictRef="siesta:Exc">
    <scalar dataType="xsd:double" units="siestaUnits:eV">-5193.2440545                                                                                       
    </scalar>
   </property>
   <property dictRef="siesta:I-e">
    <scalar dataType="xsd:double" units="siestaUnits:eV">-275690.0665419                                                                                     
    </scalar>
   </property>
   <property dictRef="siesta:I-I">
    <scalar dataType="xsd:double" units="siestaUnits:eV">131480.7037390                                                                                      
    </scalar>
   </property>
   <property dictRef="siesta:Ekinion">
    <scalar dataType="xsd:double" units="siestaUnits:eV">0.0000000                                                                                           
    </scalar>
   </property>
   <property dictRef="siesta:Etot">
    <scalar dataType="xsd:double" units="siestaUnits:eV">-9930.5604343                                                                                       
    </scalar>
   </property>
  </propertyList>
  <propertyList title="Force Summary">
  <!--Output: matrix fa(1:3,1:na_u)-->
   <property dictRef="siesta:forces">
   <!--In matrix, row (first) index is fastest-->
    <matrix units="siestaUnits:evpa" columns="74" rows="3" dataType="xsd:double">
  5.677632032681E-03  2.478374702064E-03  7.443888424811E-03
  1.690545296926E-03  7.759969817941E-05  1.587095183912E-02
  8.609472396589E-03  2.263955304840E-03  3.619318271834E-03
 -5.099700553090E-03  1.839785022554E-03  7.955624070571E-03
  2.502322597350E-03 -2.530685882651E-03  1.786287327292E-02
 -9.939085842670E-03 -5.905675382136E-03  6.184743855034E-03
  1.107284907515E-03 -1.276810314024E-03  1.354744903955E-02
  1.758550347316E-02 -4.993906904330E-03 -5.498233904187E-03
 -7.529553429743E-03 -2.316619847556E-03 -7.241987213709E-03
 -9.123568998641E-03 -4.795169982572E-03  1.579236708472E-02
  6.903314311462E-05 -5.646349303635E-03 -1.161016555814E-02
  1.509815997698E-02  4.694831679963E-03  4.798834259752E-03
 -6.952055403123E-04 -4.943107802318E-03  1.619985316812E-02
 -9.120480661418E-03 -5.901834191190E-03 -9.317259810533E-03
 -1.144161701551E-02  1.757919941194E-03 -1.972487948439E-02
  4.711695743661E-03  2.335422381555E-04 -5.573177852490E-03
 -6.583326173190E-03 -7.222617657128E-03  7.463551026148E-03
  2.248305608449E-03  1.054691846157E-03  4.336905932176E-03
  3.138435005025E-03 -5.937776160620E-03  1.374867519105E-02
 -5.568957747305E-03  4.421334821182E-04 -1.206217499474E-03
 -3.379255615568E-03 -5.883538431239E-03  4.369807786930E-03
 -6.165797679198E-03  8.096877652105E-03 -9.951567644332E-03
  3.480395291098E-03 -4.141645995144E-03 -8.465771147629E-04
 -1.935459919838E-03 -6.782866667943E-03  3.293250080872E-04
  5.601159767499E-03 -4.089325036773E-03 -4.170209436665E-03
 -4.572610925019E-03  6.849180169252E-04  5.406257457158E-03
  4.733632268100E-02 -1.138044900738E-03  2.891655017277E-02
 -1.795010930458E-03 -2.041120527439E-03 -1.689487337708E-02
  4.746835256811E-03 -3.512306942492E-03  6.065754993637E-03
 -4.329982250364E-03 -7.653569131377E-03 -1.394593162624E-03
 -2.376913412961E-03 -5.440436750869E-04  2.353690143190E-03
 -2.194998843982E-02  7.916428776676E-02 -4.911909516300E-02
 -2.339751138559E-03 -8.458696477529E-05 -1.539101618894E-02
  1.087964082647E-03  6.057760686475E-03  6.555103115698E-03
 -3.262133041163E-03 -1.725586999737E-03 -4.032510723057E-03
 -5.137145941449E-03  1.010928814153E-02  5.730874727487E-03
  1.127936491346E-01 -1.421200017361E-03 -7.996832367264E-02
 -1.559355819461E-03  3.210036366362E-03 -1.282534657653E-02
 -1.974024763244E-03 -3.937001969200E-03 -4.484625100943E-03
  5.014989752502E-03 -2.791814783432E-03 -7.826937445288E-04
 -4.590280616142E-03  4.666775541115E-03 -9.692579467036E-03
 -1.082286315114E-02 -1.820172825293E-02 -4.113711892042E-02
  1.200791658607E-04  2.402730696684E-03 -1.328170949854E-02
  3.161753953298E-03  1.620891535353E-03  1.036678534453E-02
 -1.502431720492E-03  3.247532030271E-03 -4.167545851751E-04
 -1.779638879363E-03  3.380254139409E-03  2.683457579123E-03
  6.774033841208E-02  1.209180019911E-03  9.180363411753E-03
  4.089989212613E-03  2.741572011030E-04 -1.687565667856E-02
  5.310351223370E-04  1.366656999515E-03  7.356974482541E-03
 -5.957771636093E-03  2.686062404568E-03 -1.792587414400E-04
 -5.658130069934E-03 -6.833895439620E-03  2.503762736255E-03
 -2.389175445356E-02 -8.237882812245E-02 -5.201868464034E-02
 -2.035776228936E-03  1.856525207550E-03 -1.640829836577E-02
  4.098691800811E-04 -3.088960222729E-03  2.885982987902E-03
 -9.740558333111E-03  5.756260244238E-04  6.457533700313E-03
  3.452453225749E-03  4.969019346832E-03  2.647251170127E-03
  1.182050243061E-02 -1.474224901473E-03  8.017671636397E-02
 -1.501775545457E-03 -3.873204974135E-04 -1.259831207643E-02
 -1.595099718257E-03 -1.833376430646E-03  8.178113439437E-03
  1.575610602676E-03  4.122132094334E-04  1.042398320206E-02
 -1.303974734995E-02 -9.809652401388E-03  6.561329424847E-03
 -1.279485797696E-02  2.822832324868E-02 -3.468036395129E-02
 -1.021288134160E-03 -1.466882981339E-04 -1.424152785213E-02
  2.721417614148E-03 -1.568368364677E-03  8.744505383578E-03
  3.463606800542E-03  6.688613163307E-04 -4.628812907429E-03
  6.447194663561E-03  4.560454850451E-03  8.015276813839E-03
  1.006331831070E-02  1.334508327773E-03  2.508748248267E-02
 -1.613406072430E-02  3.742319883108E-02  2.176675992862E-02
  3.822639177912E-02  1.377250559030E-03  2.074239370129E-02
 -1.236920849511E-02 -2.160950828377E-02  2.296635663780E-02
  3.207769133885E-02  1.060859145012E-03  2.410388472869E-02
 -1.452688140164E-02 -3.361769714488E-02  2.186322481936E-02
 -1.007209218182E-03  3.970501234999E-04  2.712334394544E-02
 -1.268714761321E-02  2.417436960171E-02  2.319641073796E-02

    </matrix>
   </property>
   <property dictRef="siesta:ftot">
    <array units="siestaUnits:evpa" size="3" dataType="xsd:double">
  1.498655508549E-01 -2.810895092590E-02  7.139186095029E-02

    </array>
   </property>
  </propertyList>
  <property dictRef="siesta:stress">
  <!--In matrix, row (first) index is fastest-->
   <matrix units="siestaUnits:eV_Ang__3" columns="3" rows="3"
    dataType="xsd:double">
  2.988144752241E-03  5.583741963062E-05  1.086284078918E-04
  5.583725783417E-05  3.336721232661E-03  2.346806129181E-05
  1.086244991322E-04  2.346721787699E-05 -2.095795602116E-05

   </matrix>
  </property>
  <propertyList title="Final Pressure">
   <property title="cell volume" dictRef="siesta:cellvol">
    <scalar dataType="xsd:double" units="siestaUnits:Ang__3">5581.44006808                                                                                       
    </scalar>
   </property>
   <property title="Pressure of Solid" dictRef="siesta:pressSol">
    <scalar dataType="xsd:double" units="siestaUnits:kbar">-3.36669443913                                                                                      
    </scalar>
   </property>
   <property title="Pressure of Molecule" dictRef="siesta:pressMol">
    <scalar dataType="xsd:double" units="siestaUnits:kbar">-3.31352132567                                                                                      
    </scalar>
   </property>
  </propertyList>
  <property title="Electric dipole" dictRef="siesta:dipol">
   <array units="siestaUnits:Debye" size="3" dataType="xsd:double">
 -6.120783354733E-17  2.120301117028E-16 -3.595691985928E+00

   </array>
  </property>
 </module>
 <metadata name="siesta:EndTime" content="2023-01-19T14-45-41" />
 <metadata name="dc:contributor" content="Siesta-CML" />
</cml>
