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<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>
<PP_R>
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<PP_BETA>
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<PP_BETA>
3 2 Beta L
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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
-7.86086453614E-35 1.86155863485E-35 3.46796851133E-35 8.55685222841E-35
-3.68983675137E-36 -7.50723409796E-35 -6.12270283608E-35 -6.74325848547E-35
7.97255000436E-35 -2.06856113138E-35 -3.19116818932E-35 8.49635234146E-35
7.31894799369E-35 2.80833803630E-35 1.86153028972E-35 1.50328932658E-34
6.36396315231E-35 -6.49359587717E-34 1.06299972958E-35 -4.20218353049E-35
9.18293742496E-35 -1.56121811350E-34 7.83501609293E-34 -2.12105076262E-35
-6.34536187178E-34 -8.01884878099E-34 -1.30775079640E-34 8.99541474758E-34
9.48842460811E-34 4.08687049504E-35 -2.68759062032E-34 9.65734499836E-35
-1.70450534974E-34 -1.78641311301E-34 -1.09638377086E-34 -1.06679381682E-34
-1.16360789838E-34 -1.37086932709E-34 1.53853009399E-34 -3.57384493787E-34
2.75057779680E-34 3.23055125820E-34 -2.25684419290E-34 -1.81094394248E-34
-1.50525353968E-34 3.43068954928E-34 1.40985319161E-34 1.19599802231E-34
6.86721384267E-34 -6.69392110462E-34 3.72703231131E-34 -1.45165019480E-34
7.10996936004E-34 6.37916062381E-35 5.75137587747E-34 4.12003191846E-34
-2.96458823746E-34 -4.08828484693E-34 -4.60017650422E-34 -9.01016799153E-35
-1.38646405834E-34 6.22587653146E-34 1.28602048771E-34 -7.55052412310E-34
-4.29455589033E-34 -1.77039699633E-34 -6.04722582398E-34 1.35185677081E-33
-9.64944839827E-34 -1.11998684453E-33 1.24037850631E-33 1.50728292157E-33
-7.98304882097E-35 -3.94900259845E-34 -1.52557256368E-34 1.07145583449E-33
8.29435609212E-34 -4.97801284749E-34 8.69083940941E-34 -8.21321217978E-34
-1.10499213679E-33 -8.63557629004E-34 2.00591663809E-33 -2.41617556419E-34
-2.82928038106E-33 2.64651806348E-33 -1.05079315234E-33 1.31015044427E-33
-1.15710534293E-33 1.74070591304E-33 3.03946871842E-33 -1.14200866305E-33
1.34576563984E-33 8.68695591464E-33 -1.09818611323E-33 2.74443578322E-33
-1.02410325355E-32 2.53976415457E-33 -1.20333540080E-33 -4.15378795652E-33
3.82620342033E-33 5.47443021473E-33 -1.32895874271E-33 -5.53637020297E-33
3.54704823131E-34 -3.98311993603E-33 -8.74570643393E-34 -8.96477062742E-35
6.16088681283E-33 -3.77070017266E-33 -5.29580550407E-33 2.79993197527E-32
-3.47296202708E-32 -7.15736526946E-34 1.77324691443E-33 -3.20374473101E-32
-3.19244554114E-33 -5.05891349653E-33 9.74327130317E-33 7.82241205279E-33
-9.96486559520E-33 -3.08353882953E-32 -4.02270071282E-32 9.69312237614E-33
-5.03876247161E-32 -1.20773771726E-32 1.37478377050E-34 5.35916652770E-32
-1.07742697416E-33 -5.27126142701E-33 1.04996436495E-32 -8.21957608335E-33
-7.42996425090E-33 9.27874063042E-33 4.52351153310E-33 -1.72917465841E-33
2.45961235000E-32 1.06324805293E-32 -9.29672063404E-33 -1.88586886931E-32
-2.01995578100E-32 -9.95757841666E-33 1.71980272850E-32 7.47346560282E-33
1.60768665895E-32 2.35249393127E-32 6.59936465883E-33 1.86183972572E-32
-6.79164482052E-33 -9.86494732359E-33 2.27901888728E-32 -4.34014626675E-32
2.23211287982E-32 -2.58820983082E-32 -3.52195861477E-32 1.20787744628E-31
-2.56132975331E-32 -4.38772569535E-32 -1.78880146954E-31 1.95385502763E-32
2.05273851622E-33 -2.03994673831E-32 -2.14513806409E-33 1.45368248433E-31
-1.90801299998E-33 -4.60544967989E-32 -2.42146020797E-31 7.02186534896E-33
-9.66038292679E-32 -4.30289984575E-32 -9.79066264446E-32 9.04531593757E-32
2.63016145545E-32 6.01005929034E-32 -8.41827827618E-33 -4.83424393238E-32
1.00407735693E-32 -4.34380127750E-32 -2.51735023177E-32 2.90676532816E-32
7.49093906548E-32 8.39985855920E-32 1.13357644516E-32 -1.48164609927E-32
7.59777795978E-32 1.24030654733E-31 1.04290232485E-31 -1.70533208831E-31
-1.64818089944E-31 1.89496060055E-31 1.33330843458E-31 -5.20145751054E-32
-3.74349274754E-32 8.68414212884E-33 1.40890200055E-31 -5.34846246177E-32
1.45619168692E-31 -6.17980752394E-32 1.86735961841E-31 -6.27838697282E-32
-1.79246798232E-31 -5.49507245575E-32 2.90231870248E-31 5.05195868580E-32
2.24867915364E-31 1.77944378052E-30 3.93506212608E-31 -2.31859099622E-31
3.52577162966E-31 -1.74616894784E-31 -3.46233875593E-31 3.87863305903E-31
-1.33365619390E-31 -3.53455150458E-31 -1.12898651683E-31 -2.68096270116E-32
2.83981298640E-31 -4.52553610697E-32 -2.84082290253E-31 -1.33862058268E-31
-1.03114951306E-31 5.55451425128E-31 -4.53154954474E-31 -3.15137263921E-31
-2.06333747824E-31 -3.50820142734E-31 -5.98798141902E-31 -6.92967251749E-31
6.08895912638E-32 2.50598238153E-30 3.88177342100E-31 7.17175800653E-31
2.18310530125E-30 -2.90091990485E-31 1.36196796223E-31 -1.25001011752E-31
-7.66767818871E-31 -6.28996318995E-31 -6.03701906301E-31 -1.05728696513E-31
-9.75688879783E-31 9.42765463783E-31 -3.32273975176E-31 4.92500700897E-31
6.87162634104E-31 1.38731945935E-30 -2.94543716900E-31 1.25135636920E-30
-1.41060123611E-30 -7.18646396679E-30 -1.53908562058E-30 -8.44914203818E-30
9.31682893004E-30 -2.25165950220E-31 5.28646373283E-31 1.19578673852E-30
-2.22491076423E-30 2.74414629342E-30 1.02346974528E-29 -1.01027902791E-31
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1.28191301280E-01 1.23690238824E-01 1.19302985269E-01 1.15028278202E-01
1.10864817807E-01 1.06811268516E-01 1.02866260641E-01 9.90283920049E-02
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1.65913301063E-07 1.39501168818E-07 1.17090416398E-07 9.81079890622E-08
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1.84023776680E-08 1.51365706771E-08 1.24260393247E-08 1.01807650457E-08
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1.54426417605E-09 1.23934958962E-09 9.92600355656E-10 7.93392719868E-10
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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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1.38442953965E-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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2.53991386624E-08 2.06351111221E-08 1.67337335386E-08 1.35454107653E-08
1.09449001565E-08 8.82501850110E-09 7.10035069696E-09 5.70026288590E-09
4.56616226892E-09 3.64955180406E-09 2.91038020556E-09 2.31564562174E-09
1.83821672072E-09 1.45583965496E-09 1.15030356598E-09 9.06740983586E-10
7.13042720236E-10 5.59369706425E-10 4.37746700210E-10 3.41724972469E-10
2.66102954473E-10 2.06695468665E-10 1.60143576414E-10 1.23758294642E-10
9.53924803776E-11 7.33360800503E-11 5.62307077260E-11 4.30001706039E-11
3.27941160547E-11 2.49424456310E-11 1.89185395949E-11 1.43096709345E-11
1.07932695953E-11 8.11793363481E-12 6.08828105375E-12 4.55290009590E-12
3.39479195328E-12 2.52381246293E-12 1.87071230209E-12 1.38245159682E-12
1.01852749321E-12 7.48104420892E-13 5.47778467774E-13 3.99841132562E-13
2.90935115824E-13 2.11016907586E-13 1.52558696536E-13 1.09936363558E-13
7.89616938130E-14 5.65259932191E-14 4.03294758404E-14 2.86764656268E-14
2.03209285223E-14 1.43503624645E-14 1.00988200539E-14 7.08198040771E-15
4.94885043189E-15 3.44596348048E-15 2.39093647644E-15 1.65300964015E-15
1.13877713321E-15 7.81762451433E-16 5.34830917628E-16 3.64687856931E-16
2.47904244567E-16 1.68056736832E-16 1.13677574786E-16 7.67907688673E-17
5.18710395466E-17 3.48968262728E-17 2.33816043066E-17 1.56017118145E-17
1.03672068054E-17 6.86000847198E-18 4.52004286923E-18 2.96549307699E-18
1.93717562227E-18 1.25991100261E-18 8.15812616444E-19 5.25897773428E-19
3.37483939014E-19 2.15588727981E-19 1.37088257722E-19
</PP_RHOATOM>
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