/usr/share/espresso/pseudo/Rhs.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 Bianchettin 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 9.00 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
10.00000000000 Z valence
-56.77536160300 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 9.00
5S 0 1.00
</PP_HEADER>
<PP_MESH>
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<PP_BETA>
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5.29392454947E-05 5.45513718045E-05 5.62125786263E-05 5.79243732491E-05
5.96882909493E-05 6.15059293373E-05 6.33789102295E-05 6.53089286685E-05
6.72977125830E-05 6.93470549084E-05 7.14587994603E-05 7.36348548353E-05
7.58771605608E-05 7.81877537870E-05 8.05687020915E-05 8.30221446800E-05
8.55503003840E-05 8.81554327730E-05 9.08398893922E-05 9.36060957953E-05
9.64565222536E-05 9.93937425583E-05 1.02420403090E-04 1.05539218643E-04
1.08752996186E-04 1.12064637945E-04 1.15477110545E-04 1.18993490603E-04
1.22616935645E-04 1.26350708827E-04 1.30198167812E-04 1.34162774225E-04
1.38248095297E-04 1.42457811991E-04 1.46795697642E-04 1.51265660330E-04
1.55871725931E-04 1.60618029603E-04 1.65508844421E-04 1.70548577231E-04
1.75741748323E-04 1.81093038006E-04 1.86607252710E-04 1.92289351465E-04
1.98144452949E-04 2.04177815340E-04 2.10394870947E-04 2.16801206735E-04
2.23402594720E-04 2.30204952472E-04 2.37214416817E-04 2.44437275963E-04
2.51880072891E-04 2.59549142703E-04 2.67454717865E-04 2.75571539902E-04
2.84222457106E-04 2.90548826770E-04 3.04481624331E-04 3.08948472571E-04
3.23101777734E-04 3.25942250524E-04 3.42356021052E-04 3.49674297216E-04
3.61119281222E-04 3.72494803625E-04 3.83289399552E-04 3.93729202218E-04
4.05985098666E-04 4.21052165362E-04 4.32892779279E-04 4.46244644424E-04
4.54140546579E-04 4.80790556310E-04 4.80284651028E-04 5.02259768466E-04
5.21726821693E-04 5.29795928662E-04 5.51148724825E-04 5.65819567871E-04
5.83182066124E-04 5.98807708625E-04 6.21707059439E-04 6.38396004222E-04
6.58503591711E-04 6.75706414123E-04 6.98342855803E-04 7.21041898590E-04
7.39370658659E-04 7.65277762104E-04 7.87795968293E-04 8.11118869466E-04
8.35679493719E-04 8.60078367216E-04 8.89808061722E-04 9.13601251996E-04
9.43726270646E-04 9.69522261175E-04 1.00130162130E-03 1.03172230325E-03
1.06211062453E-03 1.09306347854E-03 1.13403363228E-03 1.15656506807E-03
1.20010115980E-03 1.23451971323E-03 1.27278357284E-03 1.30740227090E-03
1.35224943238E-03 1.39634659330E-03 1.43192153808E-03 1.47658970947E-03
1.52251289650E-03 1.56587300698E-03 1.62332228964E-03 1.66300216847E-03
1.71641234296E-03 1.76832472139E-03 1.82313531620E-03 1.88133971028E-03
1.93529915854E-03 1.99036650057E-03 2.05806664548E-03 2.11362441645E-03
2.18840049647E-03 2.24496151390E-03 2.31855541265E-03 2.38499750473E-03
2.45921764328E-03 2.53475984515E-03 2.61735267255E-03 2.68506291674E-03
2.77561433297E-03 2.85908958688E-03 2.94224833966E-03 3.03805953536E-03
3.12081813110E-03 3.22630223377E-03 3.31738110073E-03 3.42337513883E-03
3.52117948729E-03 3.63478700195E-03 3.74090295903E-03 3.85568396120E-03
3.97550331875E-03 4.09423705855E-03 4.21663734911E-03 4.34948484756E-03
4.47784735474E-03 4.61658537062E-03 4.75661932352E-03 4.89860703586E-03
5.05252033694E-03 5.20059163159E-03 5.36354136954E-03 5.52411745910E-03
5.69164258085E-03 5.86720769235E-03 6.04344750659E-03 6.22704344597E-03
6.41685009318E-03 6.61260161227E-03 6.81467130105E-03 7.01795406377E-03
7.23545984116E-03 7.45365032996E-03 7.67897591539E-03 7.91443579269E-03
8.15393705996E-03 8.40166506295E-03 8.65817733964E-03 8.91972357156E-03
9.19211296650E-03 9.47022071204E-03 9.75827158488E-03 1.00568973187E-02
1.03585882442E-02 1.06767010344E-02 1.09993084827E-02 1.13342376073E-02
1.16780055787E-02 1.20325216190E-02 1.23990060621E-02 1.27751032703E-02
1.31628961721E-02 1.35621569879E-02 1.39753602077E-02 1.43983053771E-02
1.48375479410E-02 1.52855332252E-02 1.57515397556E-02 1.62286071405E-02
1.67217816092E-02 1.72289265018E-02 1.77526565332E-02 1.82906359929E-02
1.88461530072E-02 1.94179998241E-02 2.00074041708E-02 2.06136673502E-02
2.12406154973E-02 2.18837213724E-02 2.25480957506E-02 2.32316071914E-02
2.39369505532E-02 2.46620040039E-02 2.54107434259E-02 2.61807670120E-02
2.69745991065E-02 2.77925993351E-02 2.86347145031E-02 2.95033098958E-02
3.03971936725E-02 3.13179971707E-02 3.22677252914E-02 3.32452029281E-02
3.42522367065E-02 3.52899081665E-02 3.63587928014E-02 3.74602033465E-02
3.85943335557E-02 3.97632505499E-02 4.09671299604E-02 4.22069894259E-02
4.34848567244E-02 4.48008216442E-02 4.61566371220E-02 4.75532850798E-02
4.89917304260E-02 5.04738447222E-02 5.20003931371E-02 5.35729222486E-02
5.51930503100E-02 5.68611404262E-02 5.85805818840E-02 6.03507274765E-02
6.21742437184E-02 6.40532045481E-02 6.59879530185E-02 6.79810147003E-02
7.00339022952E-02 7.21488263539E-02 7.43265898932E-02 7.65700528562E-02
7.88807789668E-02 8.12606904808E-02 8.37121737027E-02 8.62366889005E-02
8.88373920814E-02 9.15155065308E-02 9.42739522815E-02 9.71150675148E-02
1.00041044011E-01 1.03054537039E-01 1.06157957143E-01 1.09354511283E-01
1.12646109073E-01 1.16036164911E-01 1.19527573326E-01 1.23122825045E-01
1.26825519946E-01 1.30638341376E-01 1.34565014122E-01 1.38608475067E-01
1.42772343138E-01 1.47059994468E-01 1.51475302621E-01 1.56021788784E-01
1.60703293145E-01 1.65523803021E-01 1.70487434220E-01 1.75598213987E-01
1.80860569674E-01 1.86278749258E-01 1.91857514593E-01 1.97601143906E-01
2.03514869143E-01 2.09603269238E-01 2.15871503297E-01 2.22324867860E-01
2.28968484315E-01 2.35808054610E-01 2.42849116445E-01 2.50097467877E-01
2.57559045873E-01 2.65239933558E-01 2.73146560717E-01 2.81285228541E-01
2.89662580698E-01 2.98285509101E-01 3.07160936120E-01 3.16296061566E-01
3.25698258273E-01 3.35375054871E-01 3.45334338207E-01 3.55583987636E-01
3.66132144307E-01 3.76987379412E-01 3.88158237674E-01 3.99653490250E-01
4.11482373534E-01 4.23654177069E-01 4.36178314226E-01 4.49064869365E-01
4.62323647585E-01 4.75965190316E-01 4.89999897252E-01 5.04438775224E-01
5.19292928673E-01 5.34573664201E-01 5.50292849378E-01 5.66462339918E-01
5.83094510790E-01 6.00201903601E-01 6.17797475418E-01 6.35894398700E-01
6.54506223685E-01 6.73646830543E-01 6.93330360769E-01 7.13571464523E-01
7.34384916755E-01 7.55785980714E-01 7.77790222929E-01 8.00413627781E-01
8.23672462942E-01 8.47583434348E-01 8.72163574826E-01 8.97430320554E-01
9.23401543104E-01 9.50095376693E-01 9.77530521418E-01 1.00572589746E+00
1.03470098715E+00 1.06447557626E+00 1.09506989363E+00 1.12650463588E+00
1.15880079296E+00 1.19197991586E+00 1.22606388742E+00 1.26107503628E+00
1.29703614508E+00 1.33397035349E+00 1.37190134902E+00 1.41085312275E+00
1.45085013056E+00 1.49191731583E+00 1.53407997391E+00 1.57736381622E+00
1.62179504607E+00 1.66740017786E+00 1.71420624568E+00 1.76224056314E+00
1.81153094068E+00 1.86210551929E+00 1.91399282534E+00 1.96722176092E+00
2.02182155997E+00 2.07782182867E+00 2.13525247332E+00 2.19414371330E+00
2.25452605124E+00 2.31643029933E+00 2.37988746632E+00 2.44492882873E+00
2.51158584267E+00 2.57989015036E+00 2.64987353783E+00 2.72156789163E+00
2.79500520696E+00 2.87021748339E+00 2.94723675785E+00 3.02609501519E+00
3.10682414318E+00 3.18945592608E+00 3.27402194615E+00 3.36055354549E+00
3.44908179029E+00 3.53963737021E+00 3.63225055794E+00 3.72695114799E+00
3.82376834033E+00 3.92273072737E+00 4.02386614219E+00 4.12720163325E+00
4.23276333051E+00 4.34057636276E+00 4.45066476464E+00 4.56305135713E+00
4.67775764021E+00 4.79480366765E+00 4.91420794667E+00 5.03598726405E+00
5.16015660030E+00 5.28672894710E+00 5.41571517796E+00 5.54712388337E+00
5.68096122069E+00 5.81723071862E+00 5.95593313048E+00 6.09706622628E+00
6.24062460648E+00 6.38659951069E+00 6.53497859420E+00 6.68574573148E+00
6.83888076708E+00 6.99435931603E+00 7.15215248906E+00 7.31222667997E+00
7.47454328106E+00 7.63905843599E+00 7.80572276403E+00 7.97448107870E+00
8.14527210654E+00 8.31802818602E+00 8.49267497107E+00 8.66913112222E+00
8.84730799089E+00 9.02710929929E+00 9.20843081531E+00 9.39116001828E+00
9.57517576960E+00 9.76034796497E+00 9.94653720122E+00 1.01335944252E+01
1.03213605943E+01 1.05096663269E+01 1.06983315644E+01 1.08871652251E+01
1.10759648718E+01 1.12645163788E+01 1.14525936110E+01 1.16399581058E+01
1.18263587770E+01 1.20115316207E+01 1.21951994440E+01 1.23770716131E+01
1.25568438183E+01 1.27341978641E+01 1.29088014924E+01 1.30803082266E+01
1.32483572589E+01 1.34125733692E+01 1.35725668894E+01 1.37279337127E+01
1.38782553509E+01 1.40230990528E+01 1.41620179728E+01 1.42945514127E+01
1.44202251308E+01 1.45385517212E+01 1.46490310817E+01 1.47511509627E+01
1.48443876087E+01 1.49282065016E+01 1.50020632023E+01 1.50654043078E+01
1.51176685222E+01 1.51582878496E+01 1.51866889180E+01 1.52022944346E+01
1.52045247838E+01 1.51927997707E+01 1.51665405125E+01 1.51251714927E+01
1.50681227680E+01 1.49948323443E+01 1.49047487198E+01 1.47973335972E+01
1.46720647687E+01 1.45284391714E+01 1.43659761182E+01 1.41842206982E+01
1.39827473411E+01 1.37611635521E+01 1.35191137941E+01 1.32562835289E+01
1.29724033899E+01 1.26672534852E+01 1.23406678133E+01 1.19925387744E+01
1.16228217569E+01 1.12315397820E+01 1.08187881742E+01 1.03847392365E+01
9.92964689569E+00 9.45385128480E+00 8.95778322496E+00 8.44196856676E+00
7.90703234855E+00 7.35370272098E+00 6.78281459326E+00 6.19531294228E+00
5.59225573418E+00 4.97481639525E+00 4.34428577437E+00 3.70207353423E+00
3.04970890128E+00 2.38884072047E+00 1.72123673303E+00 1.04878202491E+00
3.73476569276E-01 -3.02568195267E-01 -9.77133815674E-01 -1.64790036780E+00
-2.31245314346E+00 -2.96829053948E+00 -3.61283319191E+00 -4.24343439747E+00
-4.85739186187E+00 -5.45196079134E+00 -6.02436835962E+00 -6.57182954564E+00
-7.09156435470E+00 -7.58081640125E+00 -8.03687284181E+00 -8.45708561710E+00
-8.83889396635E+00 -9.17984815408E+00 -9.47763434712E+00 -9.73010055761E+00
-9.93528357033E+00 -1.00914367478E+01 -1.01970586026E+01 -1.02509220168E+01
-1.02521039706E+01 -1.02000156357E+01 -1.00944326745E+01 -9.93552557297E+00
-9.72388981897E+00 -9.46057572329E+00 -9.14711765452E+00 -8.78556244496E+00
-8.37849668725E+00 -7.92907261815E+00 -7.44103224463E+00 -6.91872932648E+00
-6.36714878477E+00 -5.79192305515E+00 -5.19934484579E+00 -4.59637571078E+00
-3.99064978903E+00 -3.39047201341E+00 -2.80481004610E+00 -2.24327917997E+00
-1.71611942749E+00 -1.23416406893E+00 -8.08798903553E-01 -4.51912353882E-01
-1.75829246110E-01 6.70549130928E-03 8.31398760712E-02 3.60153618476E-02
-1.06327838199E-01 -9.00479561094E-02 -5.04956951571E-02 -2.66682021807E-02
-1.19737790268E-02 -4.27403938030E-03 -1.07448475174E-03 -2.28061485650E-04
-1.55786962775E-04 -1.53354761786E-04 -1.50925447816E-04 -1.48501683671E-04
-1.46085553819E-04 -1.43679058350E-04
</PP_BETA>
<PP_DIJ>
4 Number of nonzero Dij
1 1 1.78632433765E-02
2 2 -3.47670229969E+00
2 3 3.82419517109E+00
3 3 -4.24274587148E+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))
-3.58228713765E-19 Q_int
-4.33836454136E-38 -2.29101131825E-38 3.04758439626E-38 2.10442155731E-38
-4.01919416938E-39 -8.27592300184E-38 -5.96960687298E-38 2.43053305068E-38
1.13053842121E-38 1.14196644831E-38 -6.62068934256E-38 2.13503900413E-38
6.28406879193E-38 -6.41742546244E-38 -6.27676612154E-38 6.47729846256E-38
-6.56161425604E-38 -6.02862899343E-38 4.87003127132E-38 -4.12118828255E-38
-1.41335883386E-38 9.36562620144E-38 4.87183433393E-37 1.30537557814E-37
3.13815394012E-38 3.98701169685E-37 -1.83727574733E-37 5.28481978158E-38
-5.56702891437E-38 -1.70422613964E-37 -1.86420270443E-37 3.92620108999E-39
-1.80909152319E-38 -6.36642829665E-37 -1.38538106628E-37 -1.19839173150E-37
-9.09787768659E-38 7.75657723582E-37 -1.06354468952E-37 -7.62945892857E-38
-3.89864962147E-38 -2.48090871436E-37 1.91254104942E-37 -9.95342960674E-38
4.25461407646E-39 -3.34537285588E-37 -3.11309511542E-37 1.81075641336E-37
2.24142675648E-37 1.80728281016E-37 5.85990123751E-38 2.96606457862E-37
-5.06396746913E-38 2.86016739483E-37 3.28797202412E-37 -2.80119373460E-37
2.88094420344E-37 -2.84974821536E-38 -4.54817149373E-37 -6.57950456953E-37
-5.95448872835E-37 4.99859902147E-37 1.64140268867E-36 -2.49365709994E-36
2.28429182307E-36 2.79816522811E-36 -2.08551142140E-37 5.28807097344E-37
3.36580792428E-36 4.42066124449E-37 -5.91867737145E-37 4.32293172965E-37
-1.75853785523E-37 -2.67020854189E-37 9.83109836350E-37 8.06170247092E-37
-3.00085286535E-37 1.42957625308E-36 -2.54000097340E-37 2.87826580848E-38
-1.31784943443E-36 1.17333558173E-36 2.15081894581E-37 8.13963470565E-37
-9.90244364129E-37 1.38969114141E-36 4.57920683799E-37 1.04578148938E-36
-5.22143080526E-38 -9.23253159962E-37 5.58631480868E-37 -1.17269040389E-36
2.35959967018E-36 3.87141786484E-37 -1.07335743367E-36 7.04745758848E-37
-1.86379128074E-37 -1.48254027622E-36 -2.81249085039E-36 9.59675510102E-37
3.53627531699E-37 -1.11471268998E-36 -4.04718354258E-38 -7.93406590198E-38
-1.15749852567E-36 -1.33469445988E-36 1.22763530019E-36 -2.40634643433E-36
-1.19504233325E-35 -5.00111362155E-36 -3.92594166125E-36 4.19116119351E-36
-1.16288313845E-36 5.43717034112E-36 -4.56100764179E-38 -5.59028478674E-36
-2.47086707975E-35 -4.32495412292E-36 1.00570294501E-36 2.79011425395E-36
-3.08667218418E-37 -5.90863975644E-36 -2.86260101708E-36 -3.29133428932E-36
-4.27269361501E-36 -7.55096045134E-37 4.49092895628E-37 -8.57603638951E-36
7.41211790196E-36 1.78907857954E-36 4.81752640139E-36 2.61490152625E-36
-1.12394101004E-35 4.33348700054E-35 7.82232684448E-36 3.07180193843E-35
7.94083060347E-36 3.11452655795E-36 -1.79664959986E-36 4.92384826753E-37
-4.52700857649E-35 1.16649465477E-35 -2.04796272800E-37 -8.29967425105E-36
1.77689377123E-35 1.95309354577E-35 -1.20835763427E-35 -1.19341967956E-35
-5.93045695739E-36 -1.34344327917E-35 1.97774378751E-35 1.48427381626E-35
-3.50474713498E-36 2.02951193120E-35 -2.36192899642E-35 6.30479422071E-36
1.10548389231E-35 2.29377762551E-35 1.76025695679E-35 1.28825772989E-34
-1.36330277451E-34 -2.28469043088E-36 -1.44739306833E-34 9.27474760923E-36
-5.13665445224E-36 1.55643471319E-34 -2.02500759411E-35 -3.18662328586E-35
-1.88604027287E-34 2.95785667920E-35 1.85301419735E-34 1.25509368925E-35
4.17683292762E-35 -4.28174539226E-35 -3.74703587212E-38 -1.90557630898E-34
-2.93898603425E-35 -2.17526358378E-34 5.10785457196E-35 -6.59821847664E-35
-2.10919420649E-35 2.62595532339E-35 -1.86759132301E-36 -3.44426702687E-35
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</PP_NONLOCAL>
<PP_PSWFC>
4D 2 9.00 Wavefunction
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1.14390747788E-03 1.05205267366E-03 9.66746834904E-04 8.87590528943E-04
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1.16772830848E-06 1.00122536792E-06 8.57138154250E-07 7.32642878155E-07
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3.26367777095E-07 2.76276952338E-07 2.33484184611E-07 1.96987507364E-07
1.65913301063E-07 1.39501168818E-07 1.17090416398E-07 9.81079890622E-08
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3.94411234070E-08 3.26896530522E-08 2.70431268749E-08 2.23295974414E-08
1.84023776680E-08 1.51365706771E-08 1.24260393247E-08 1.01807650457E-08
8.32455071465E-09 6.79302681663E-09 5.53192445250E-09 4.49558256752E-09
3.64568452580E-09 2.95034035371E-09 2.38266133869E-09 1.92019692457E-09
1.54426417605E-09 1.23934958962E-09 9.92600355656E-10 7.93392719868E-10
6.32966670382E-10 5.04117580277E-10 4.00936685475E-10 3.18593390353E-10
2.53153385577E-10 2.00685922947E-10 1.58717922278E-10 1.25227731494E-10
9.85666582566E-11 7.73933979266E-11 6.06193730264E-11 4.73632814999E-11
3.69133970005E-11 2.87075632049E-11 2.22687923982E-11 1.72295437523E-11
1.32958559929E-11 1.02332308202E-11 7.85509772844E-12 6.01341348451E-12
4.59102199776E-12 3.49546191241E-12 2.65396145816E-12 2.00940420925E-12
1.51708656702E-12 1.14211899559E-12 8.57349178903E-13 6.41707086342E-13
4.78890092834E-13 3.56321363222E-13 2.64327169161E-13 1.95489077175E-13
1.44135386557E-13 1.05943109288E-13 7.76274289503E-14 5.67001695272E-14
4.12825313702E-14 2.99603643244E-14 2.16726755866E-14 1.56260193984E-14
1.12289759972E-14 8.04217178183E-15 5.74028190663E-15 4.08324011848E-15
2.89449918134E-15 2.04467174219E-15 1.43926279631E-15 1.00950268614E-15
7.05521272702E-16 4.91283552743E-16 3.40845747451E-16 2.35597665711E-16
1.62239006793E-16 1.11299790941E-16 7.60626774554E-17 5.17809853161E-17
3.51134526793E-17 2.37172426964E-17 1.59560371552E-17 1.06914996980E-17
7.13489126904E-18 4.74191156192E-18 3.13847692541E-18 2.06854840720E-18
1.35761107760E-18 8.87216249255E-19 5.77310344550E-19 3.74021054611E-19
2.41251794040E-19 1.54922174160E-19 9.90388735907E-20 6.30270863649E-20
3.99262345658E-20 2.51755529008E-20 1.58004325272E-20 9.86978701646E-21
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1.14624641038E-22 6.81136955778E-23 4.02625069598E-23 2.36730406936E-23
1.38442953965E-23 8.05244440728E-24 4.65801547250E-24
5S 0 1.00 Wavefunction
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1.75278582600E-06 1.77040161642E-06 1.78819444849E-06 1.80616610148E-06
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9.78848242284E-06 9.88685830850E-06 9.98622288830E-06 1.00865860988E-05
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1.06037364375E-05 1.07103057627E-05 1.08179461275E-05 1.09266682960E-05
1.10364831406E-05 1.11474016428E-05 1.12594348945E-05 1.13725940992E-05
1.14868905729E-05 1.16023357454E-05 1.17189411612E-05 1.18367184810E-05
1.19556794827E-05 1.20758360624E-05 1.21972002359E-05 1.23197841397E-05
1.24436000324E-05 1.25686602955E-05 1.26949774354E-05 1.28225640837E-05
1.29514329992E-05 1.30815970690E-05 1.32130693096E-05 1.33458628683E-05
1.34799910246E-05 1.36154671914E-05 1.37523049165E-05 1.38905178837E-05
1.40301199145E-05 1.41711249692E-05 1.43135471484E-05 1.44574006944E-05
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1.64644983564E-05 1.66299693245E-05 1.67971033037E-05 1.69659170075E-05
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