/usr/share/espresso/pseudo/Rh.pbe-rrkjus_lb.UPF is in quantum-espresso-data 4.3.2-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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5422 5423 5424 5425 5426 5427 5428 5429 5430 5431 5432 5433 5434 5435 5436 5437 5438 5439 5440 5441 5442 5443 5444 5445 5446 5447 5448 5449 5450 | <PP_INFO>
Generated using Andrea Dal Corso code (rrkj3)
Author: Laura Biancchettin Generation date: before Mar 13 2001
Info: Rh
1 The Pseudo was generated with a Scalar-Relativistic Calculation
2.40000000000E+00 Local Potential cutoff radius
nl pn l occ Rcut Rcut US E pseu
5P 2 1 0.00 2.50000000000 2.50000000000 0.00000000000
4D 3 2 8.00 1.80000000000 2.20000000000 0.00000000000
4D 3 2 0.00 1.80000000000 2.20000000000 0.00000000000
5S 1 0 1.00 2.40000000000 2.40000000000 0.00000000000
</PP_INFO>
<PP_HEADER>
0 Version Number
Rh Element
US Ultrasoft pseudopotential
F Nonlinear Core Correction
SLA PW PBE PBE PBE Exchange-Correlation functional
9.00000000000 Z valence
-43.22148820500 Total energy
0.0000000 0.0000000 Suggested cutoff for wfc and rho
2 Max angular momentum component
1491 Number of points in mesh
2 3 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
4D 2 8.00
5S 0 1.00
</PP_HEADER>
<PP_MESH>
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<PP_BETA>
2 2 Beta L
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<PP_BETA>
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7.28812740277E-05 7.51006835920E-05 7.73876961820E-05 7.97443222840E-05
8.21727340760E-05 8.46750796505E-05 8.72536324293E-05 8.99107013416E-05
9.26486855530E-05 9.54700295345E-05 9.83773033628E-05 1.01373073861E-04
1.04460099953E-04 1.07641120110E-04 1.10918998507E-04 1.14296684069E-04
1.17777244644E-04 1.21363773543E-04 1.25059498819E-04 1.28867774817E-04
1.32792008980E-04 1.36835734200E-04 1.41002595063E-04 1.45296329122E-04
1.49720811067E-04 1.54280002561E-04 1.58978043922E-04 1.63819112404E-04
1.68807600401E-04 1.73947967163E-04 1.79244869888E-04 1.84703040247E-04
1.90327409404E-04 1.96123037160E-04 2.02095131752E-04 2.08249083296E-04
2.14590381484E-04 2.21124781004E-04 2.27858127877E-04 2.34796489863E-04
2.41946099960E-04 2.49313421066E-04 2.56905054921E-04 2.64727814998E-04
2.72788769109E-04 2.81095134309E-04 2.89654424269E-04 2.98474321235E-04
3.07562737150E-04 3.16927855341E-04 3.26578133725E-04 3.36522174640E-04
3.46768995301E-04 3.57327807258E-04 3.68208057381E-04 3.79419574754E-04
3.90972437659E-04 4.02876985022E-04 4.15143991470E-04 4.27784495458E-04
4.40809747374E-04 4.54231762698E-04 4.68060490653E-04 4.82328833846E-04
4.96850062052E-04 5.11747642167E-04 5.31957230558E-04 5.33698205154E-04
5.72826350347E-04 5.67209994662E-04 5.93575239260E-04 6.28140169327E-04
6.09229127997E-04 6.74448239408E-04 6.54506454225E-04 7.07773618902E-04
6.89404212202E-04 7.55562004666E-04 7.43333071067E-04 7.81043185617E-04
8.08386360035E-04 8.24050624689E-04 8.51344701652E-04 8.81648118274E-04
9.05861568513E-04 9.27524592464E-04 9.65973223880E-04 9.91253335165E-04
1.02018059396E-03 1.04979798490E-03 1.08481978399E-03 1.12197641836E-03
1.13925202113E-03 1.19766912100E-03 1.21822327574E-03 1.25553332936E-03
1.30057900745E-03 1.33730127619E-03 1.38290402031E-03 1.41230664978E-03
1.46244232138E-03 1.51546224885E-03 1.54595083230E-03 1.60181992364E-03
1.65002110532E-03 1.69944011213E-03 1.75562412071E-03 1.79807125972E-03
1.86476468403E-03 1.91243917247E-03 1.97984070994E-03 2.02772873333E-03
2.10216419256E-03 2.15759650582E-03 2.22840907218E-03 2.28763883911E-03
2.36590585707E-03 2.44260402220E-03 2.51177493841E-03 2.56991284356E-03
2.67679750112E-03 2.74178460959E-03 2.83098623913E-03 2.92278124418E-03
2.98537044827E-03 3.11277559551E-03 3.19303036359E-03 3.27214847181E-03
3.40222217216E-03 3.47828195682E-03 3.59681693772E-03 3.71363537403E-03
3.81112407379E-03 3.93284965034E-03 4.06679806150E-03 4.16474994422E-03
4.31171174491E-03 4.44248749207E-03 4.56612855420E-03 4.69448153997E-03
4.86899291098E-03 5.00495127407E-03 5.13614569069E-03 5.32829603538E-03
5.45791808997E-03 5.64672006594E-03 5.80438718099E-03 5.98766749591E-03
6.16579736094E-03 6.35611316089E-03 6.55309958042E-03 6.73810809737E-03
6.96742834292E-03 7.15783792267E-03 7.37697573753E-03 7.62103437027E-03
7.83020851707E-03 8.07903186294E-03 8.31897066710E-03 8.57860585309E-03
8.83773179914E-03 9.10463172875E-03 9.37875739588E-03 9.67498306950E-03
9.95633765958E-03 1.02655179273E-02 1.05770367269E-02 1.08958682440E-02
1.12295614843E-02 1.15725201262E-02 1.19247369074E-02 1.22766471914E-02
1.26639759983E-02 1.30410329226E-02 1.34394879650E-02 1.38458915721E-02
1.42724746586E-02 1.47015580028E-02 1.51476885301E-02 1.56082421272E-02
1.60835660083E-02 1.65743056940E-02 1.70757413958E-02 1.75936507590E-02
1.81287367436E-02 1.86809614206E-02 1.92476774197E-02 1.98293175724E-02
2.04358518417E-02 2.10553408587E-02 2.16940181818E-02 2.23528031051E-02
2.30337539072E-02 2.37305366770E-02 2.44523225726E-02 2.51938611273E-02
2.59591363829E-02 2.67469794433E-02 2.75614395830E-02 2.83940143908E-02
2.92584315065E-02 3.01457587541E-02 3.10618837196E-02 3.19996004395E-02
3.29776123215E-02 3.39734225070E-02 3.50060986488E-02 3.60669537098E-02
3.71618250307E-02 3.82883283226E-02 3.94510812471E-02 4.06462850425E-02
4.18777041432E-02 4.31494407357E-02 4.44565106762E-02 4.58061297882E-02
4.71923350557E-02 4.86244463876E-02 5.00966530343E-02 5.16157191483E-02
5.31803936134E-02 5.47900475705E-02 5.64514278930E-02 5.81605139552E-02
5.99226050906E-02 6.17372802902E-02 6.36070092540E-02 6.55321329796E-02
6.75178958473E-02 6.95594794723E-02 7.16664416612E-02 7.38342107024E-02
7.60699751012E-02 7.83704447752E-02 8.07410836538E-02 8.31843447625E-02
8.56993261260E-02 8.82914624760E-02 9.09602691956E-02 9.37105001318E-02
9.65429341621E-02 9.94607296327E-02 1.02466103221E-01 1.05561528691E-01
1.08750589416E-01 1.12034635877E-01 1.15417895845E-01 1.18902862810E-01
1.22492048766E-01 1.26188414124E-01 1.29997013630E-01 1.33918308108E-01
1.37958285090E-01 1.42118227494E-01 1.46404286245E-01 1.50816794382E-01
1.55363250750E-01 1.60044136413E-01 1.64866107344E-01 1.69831843747E-01
1.74945815947E-01 1.80213034338E-01 1.85637098129E-01 1.91223525260E-01
1.96976191053E-01 2.02900767796E-01 2.09001959990E-01 2.15284802130E-01
2.21754809785E-01 2.28417700391E-01 2.35278650735E-01 2.42343745619E-01
2.49618877862E-01 2.57110311008E-01 2.64824084360E-01 2.72767045165E-01
2.80945371040E-01 2.89366697272E-01 2.98036951910E-01 3.06964801621E-01
3.16156335643E-01 3.25620115196E-01 3.35363586035E-01 3.45395108287E-01
3.55722577222E-01 3.66355308608E-01 3.77301382759E-01 3.88569939715E-01
4.00170523461E-01 4.12112616748E-01 4.24405854766E-01 4.37060415118E-01
4.50086494064E-01 4.63495111647E-01 4.77296542661E-01 4.91502591694E-01
5.06124371747E-01 5.21174086006E-01 5.36663273039E-01 5.52605152949E-01
5.69011688891E-01 5.85896791084E-01 6.03273373430E-01 6.21155623592E-01
6.39557582823E-01 6.58493724069E-01 6.77979214215E-01 6.98029449423E-01
7.18659658676E-01 7.39886804108E-01 7.61726597047E-01 7.84196729345E-01
8.07314191146E-01 8.31097042090E-01 8.55563380693E-01 8.80732321516E-01
9.06622835875E-01 9.33254803311E-01 9.60648241919E-01 9.88824131686E-01
1.01780338632E+00 1.04760805068E+00 1.07826015319E+00 1.10978252816E+00
1.14219865321E+00 1.17553233637E+00 1.20980784474E+00 1.24505058206E+00
1.28128583977E+00 1.31853997284E+00 1.35683976543E+00 1.39621252838E+00
1.43668643677E+00 1.47828995190E+00 1.52105258863E+00 1.56500399376E+00
1.61017491909E+00 1.65659655121E+00 1.70430069742E+00 1.75331993072E+00
1.80368750010E+00 1.85543727897E+00 1.90860383598E+00 1.96322241557E+00
2.01932899455E+00 2.07696018771E+00 2.13615337981E+00 2.19694653127E+00
2.25937840035E+00 2.32348845334E+00 2.38931668577E+00 2.45690405265E+00
2.52629192554E+00 2.59752250156E+00 2.67063866443E+00 2.74568388734E+00
2.82270237260E+00 2.90173890192E+00 2.98283895793E+00 3.06604855009E+00
3.15141446478E+00 3.23898382842E+00 3.32880454454E+00 3.42092496197E+00
3.51539393899E+00 3.61226085665E+00 3.71157553060E+00 3.81338824714E+00
3.91774958038E+00 4.02471057062E+00 4.13432249492E+00 4.24663691072E+00
4.36170556035E+00 4.47958041713E+00 4.60031346771E+00 4.72395676237E+00
4.85056237712E+00 4.98018218004E+00 5.11286801420E+00 5.24867128879E+00
5.38764322884E+00 5.52983453227E+00 5.67529538566E+00 5.82407536375E+00
5.97622326093E+00 6.13178705215E+00 6.29081365704E+00 6.45334896967E+00
6.61943756395E+00 6.78912261557E+00 6.96244580821E+00 7.13944702019E+00
7.32016432425E+00 7.50463367170E+00 7.69288879435E+00 7.88496094606E+00
8.08087874710E+00 8.28066790553E+00 8.48435106235E+00 8.69194746070E+00
8.90347280361E+00 9.11893889650E+00 9.33835342383E+00 9.56171965935E+00
9.78903615658E+00 1.00202964476E+01 1.02554887279E+01 1.04945954995E+01
1.07375932541E+01 1.09844520833E+01 1.12351353223E+01 1.14895991657E+01
1.17477922480E+01 1.20096552473E+01 1.22751204682E+01 1.25441113533E+01
1.28165420995E+01 1.30923171324E+01 1.33713306643E+01 1.36534661881E+01
1.39385959707E+01 1.42265805606E+01 1.45172682409E+01 1.48104945004E+01
1.51060815058E+01 1.54038375277E+01 1.57035564004E+01 1.60050169457E+01
1.63079824131E+01 1.66121999041E+01 1.69173997966E+01 1.72232951814E+01
1.75295812838E+01 1.78359349096E+01 1.81420138742E+01 1.84474564743E+01
1.87518809373E+01 1.90548849169E+01 1.93560449916E+01 1.96549161919E+01
1.99510315560E+01 2.02439017126E+01 2.05330145122E+01 2.08178346857E+01
2.10978035580E+01 2.13723388146E+01 2.16408343258E+01 2.19026600317E+01
2.21571619072E+01 2.24036619993E+01 2.26414585548E+01 2.28698262381E+01
2.30880164552E+01 2.32952577883E+01 2.34907565479E+01 2.36736974565E+01
2.38432444688E+01 2.39985417424E+01 2.41387147627E+01 2.42628716469E+01
2.43701046101E+01 2.44594916414E+01 2.45300983612E+01 2.45809801010E+01
2.46111842111E+01 2.46197525710E+01 2.46057243822E+01 2.45681391856E+01
2.45060401378E+01 2.44184775822E+01 2.43045128696E+01 2.41632224785E+01
2.39937024286E+01 2.37950729729E+01 2.35664836095E+01 2.33071183745E+01
2.30162014439E+01 2.26930030341E+01 2.23368455860E+01 2.19471102381E+01
2.15232435766E+01 2.10647646400E+01 2.05712721647E+01 2.00424520663E+01
1.94780850994E+01 1.88780547010E+01 1.82423549556E+01 1.75710986700E+01
1.68645254798E+01 1.61230099786E+01 1.53470697802E+01 1.45373734672E+01
1.36947483713E+01 1.28201880825E+01 1.19148596436E+01 1.09801103086E+01
1.00174738120E+01 9.02867601419E+00 8.01563984892E+00 6.98048945296E+00
5.92555335840E+00 4.85336664544E+00 3.76667192117E+00 2.66841900224E+00
1.56176317938E+00 4.50061932119E-01 -6.63130042567E-01 -1.77406759228E+00
-2.87882382844E+00 -3.97330086683E+00 -5.05324277289E+00 -6.11425075613E+00
-7.15180077354E+00 -8.16126357961E+00 -9.13792735207E+00 -1.00770229171E+01
-1.09737516471E+01 -1.18233160625E+01 -1.26209531369E+01 -1.33619703112E+01
-1.40417841871E+01 -1.46559618322E+01 -1.52002646418E+01 -1.56706946222E+01
-1.60635430017E+01 -1.63754409687E+01 -1.66034123757E+01 -1.67449281764E+01
-1.67979623455E+01 -1.67610489995E+01 -1.66333403918E+01 -1.64146654400E+01
-1.61055883804E+01 -1.57074671258E+01 -1.52225108492E+01 -1.46538362633E+01
-1.40055220398E+01 -1.32826607088E+01 -1.24914073828E+01 -1.16390245096E+01
-1.07339218473E+01 -9.78569073213E+00 -8.80513165326E+00 -7.80427403855E+00
-6.79638709010E+00 -5.79598040516E+00 -4.81879305147E+00 -3.88176970429E+00
-3.00302240873E+00 -2.20177655829E+00 -1.49829953841E+00 -9.13812325675E-01
-4.70367780233E-01 -1.90842949749E-01 -9.76009086920E-02 -2.23904971594E-01
-5.00758530057E-01 -3.95604340388E-01 -2.47685850276E-01 -1.45457888864E-01
-7.50811350954E-02 -3.19405534294E-02 -9.68217857294E-03 -1.51015985669E-03
-3.51585307078E-04 -3.46671029575E-04 -3.41732389256E-04 -3.36777684208E-04
-3.31813075053E-04 -3.26845152112E-04
</PP_BETA>
<PP_DIJ>
4 Number of nonzero Dij
1 1 1.80377526959E-02
2 2 -3.30319748411E+00
2 3 3.17137654411E+00
3 3 -3.05393097845E+00
</PP_DIJ>
<PP_QIJ>
0 nqf. If not zero, Qij's inside rinner are computed using qfcoef's
1 1 1 i j (l(j))
-3.24607942830E-19 Q_int
-7.64028712664E-39 7.64217509367E-38 -8.98113350966E-38 4.08947484075E-38
-8.40182478317E-38 -4.55636167320E-38 1.53605286782E-38 -1.07509744722E-37
6.42967270073E-38 -1.37052087599E-37 1.60160052563E-37 -1.10071358069E-37
7.53446441549E-38 -7.58546256619E-37 1.05922920905E-37 1.25024347089E-37
-7.96247061695E-38 -1.33869485085E-37 -6.62420811374E-37 8.61500172765E-37
5.91100562390E-37 -1.69149884779E-37 5.96249487514E-37 5.80730003208E-38
-1.15045180834E-37 2.29397601877E-37 -1.01622637119E-37 3.06980009154E-38
2.80234043666E-37 -2.98149781646E-37 3.16425117726E-38 -3.32431867395E-37
3.99670023969E-38 -3.03813152016E-37 -3.15660802988E-37 2.90603711968E-37
-3.51052727252E-37 4.15019509266E-38 1.58840823709E-37 3.11749727311E-37
9.30388113965E-38 -2.39851444473E-36 -2.81512061793E-36 3.36450049375E-38
4.46998439649E-38 2.48224531724E-36 1.92632113353E-36 -5.66561811687E-37
1.80315555750E-37 -5.86131980734E-37 -6.35305128287E-37 4.50176363061E-37
-5.82153888821E-37 5.84433597914E-37 -6.41631546311E-37 -3.98804638513E-38
7.35628389779E-37 -6.88130803938E-37 1.36185108670E-36 6.03276295416E-37
-1.21698044282E-36 8.26598833777E-37 1.03667634722E-36 2.73589523848E-37
2.04452483820E-37 5.01662365366E-37 -4.68978930525E-38 -4.57062488291E-37
-1.23435917559E-36 -2.70935107444E-37 -2.11750154588E-37 1.06046800810E-36
-2.75393636584E-37 1.02101261357E-36 1.35956333658E-37 1.81366330199E-36
-1.53484826637E-36 -7.09460292485E-37 8.45849586187E-37 1.62965225424E-37
-2.04989616680E-37 2.02334394671E-36 -1.17782408760E-36 1.42644392411E-36
2.78032816014E-36 -2.90850158127E-37 -1.94797735343E-36 1.80442244210E-36
1.03676519807E-35 -1.23840530853E-35 1.24649539193E-35 9.56590350636E-36
-4.96305483805E-37 3.51620138444E-36 -3.24111730283E-36 -5.35564350292E-37
5.12509815888E-37 -1.83522771719E-36 -2.43885832437E-36 5.92679450619E-36
5.82980607148E-36 2.13616521181E-36 5.57019116967E-36 -6.98970420800E-37
5.70142405484E-36 -4.19687220853E-36 -4.77240446332E-36 -1.68285537624E-36
-3.75284718158E-36 5.29420796241E-36 -4.37917022196E-36 1.05479921978E-35
2.69473473044E-36 1.03090387730E-35 -1.93621358604E-36 -2.21054531402E-36
-1.14394112703E-35 -7.68214583005E-36 -4.05714245803E-36 -9.02970558607E-36
1.20290546844E-35 -2.90034014300E-36 1.01000272974E-35 -7.26707242415E-36
-6.51898893001E-36 -7.03086578116E-36 5.52267522578E-35 -2.37087020624E-35
-1.39767308356E-35 1.29527454110E-35 -1.28885091860E-35 -1.65082407347E-35
1.17977784154E-35 -1.33733871585E-35 -7.95433968597E-36 -9.42424183321E-36
9.67950178851E-36 1.12329119388E-36 8.92144161389E-36 -1.88910292766E-35
-1.46519110745E-34 -2.52414532895E-36 -1.82677269298E-35 1.18271906515E-34
-4.00476195956E-36 1.16722611915E-34 -9.32996483753E-38 -3.13318867837E-35
1.23224057113E-34 -2.51351583776E-35 -3.37082078523E-35 3.21322018589E-35
1.90145014672E-35 -3.89977716183E-35 3.90900508033E-36 -1.41477449477E-34
3.38332508688E-35 -3.21226903910E-36 2.27424359966E-35 1.99525718985E-36
-2.01439460778E-35 -1.70532608692E-34 8.89034240769E-35 -8.53427421837E-36
1.62734258431E-35 4.54949121902E-35 8.94654627538E-35 7.79164190816E-35
-8.73378038536E-35 -3.94203354956E-35 9.22557570323E-35 -3.84725628680E-35
8.85009050067E-35 -1.25771686870E-35 1.99515785564E-36 -6.62021567685E-35
5.16440803075E-35 7.81056601136E-35 -5.50695660243E-35 1.14479774926E-34
-9.20808290115E-35 -7.09154254210E-35 -1.57582961563E-34 4.97554293646E-35
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4D 2 8.00 Wavefunction
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2.25989085812E-07 1.90756228188E-07 1.60744112027E-07 1.35222605496E-07
1.13557049302E-07 9.51967365806E-08 7.96646501058E-08 6.65483367660E-08
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2.63409297589E-08 2.17618309812E-08 1.79442237586E-08 1.47674748344E-08
1.21290840011E-08 9.94277456517E-09 8.13473418225E-09 6.64251840726E-09
5.41347930492E-09 4.40332050773E-09 3.57485171921E-09 2.89691757566E-09
2.34347867389E-09 1.89282519103E-09 1.52690589580E-09 1.23075750441E-09
9.92021292721E-10 7.97845429623E-10 6.40259630264E-10 5.12652755099E-10
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1.63026265856E-10 1.28787344417E-10 1.01495236073E-10 7.97929334917E-11
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2.30874431273E-11 1.78790611447E-11 1.38096590726E-11 1.06384693773E-11
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2.77217752252E-12 2.10096258597E-12 1.58777971098E-12 1.19653235548E-12
8.99100856333E-13 6.73642552616E-13 5.03239818086E-13 3.74827960978E-13
2.78347581881E-13 2.06076406342E-13 1.52104185960E-13 1.11921295519E-13
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2.30235296212E-14 1.66190559769E-14 1.19564373707E-14 8.57321498491E-15
6.12657071987E-15 4.36323087200E-15 3.09671318870E-15 2.19018456525E-15
1.54359060034E-15 1.08402626636E-15 7.58556943803E-16 5.28885367049E-16
3.67404113990E-16 2.54284296187E-16 1.75336336351E-16 1.20443901591E-16
8.24217207688E-17 5.61857033870E-17 3.81522707232E-17 2.58052669756E-17
1.73849129344E-17 1.16652892204E-17 7.79578375919E-18 5.18856926824E-18
3.43907080410E-18 2.26998088914E-18 1.49201301290E-18 9.76503726989E-19
6.36366715959E-19 4.12909097080E-19 2.66744753765E-19 1.71558630113E-19
1.09846219580E-19 7.00154593548E-20 4.44241652252E-20 2.80569940537E-20
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2.62654699877E-21 1.61196421651E-21 9.84411324817E-22 5.98173479796E-22
3.61647281186E-22 2.17534768314E-22 1.30177308191E-22
5S 0 1.00 Wavefunction
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1.16550156305E-05 1.17721504877E-05 1.18904625699E-05 1.20099637084E-05
1.21306658534E-05 1.22525810752E-05 1.23757215654E-05 1.25000996383E-05
1.26257277316E-05 1.27526184084E-05 1.28807843578E-05 1.30102383965E-05
1.31409934701E-05 1.32730626541E-05 1.34064591556E-05 1.35411963143E-05
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1.80968271995E-05 1.82787033469E-05 1.84624073804E-05 1.86479576704E-05
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