openmx-data 3.7.6-2 / usr / share / openmx / DFT_DATA13 / VPS / Sn_CA13.vps

***************************************************
                    Input file
***************************************************

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name           Sn_CA13
Log.print             OFF            # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile    Sn_CA13       # default=null

#
# Calculation type
#

eq.type               dirac          # sch|sdirac|dirac 
calc.type             VPS            # ALL|VPS|PAO
xc.type               LDA            # LDA|GGA

#
# Atom
#

AtomSpecies             50
max.occupied.N            5
total.electron        50.0
valence.electron      14.0 
<occupied.electrons 
 1   2.0
 2   2.0  6.0
 3   2.0  6.0  10.0
 4   2.0  6.0  10.0  0.0
 5   2.0  2.0   0.0  0.0  0.0
occupied.electrons>

#
# parameters for solving 1D-differential equations
#

grid.xmin             -9.0           # default=-7.0 rmin(a.u.)=exp(grid.xmin)
grid.xmax              3.2           # default= 2.5 rmax(a.u.)=exp(grid.xmax)
grid.num             12000           # default=4000
grid.num.output        500           # default=2000

#
# SCF
#

scf.maxIter             60           # default=40            
scf.Mixing.Type       Simple         # Simple|GR-Pulay 
scf.Init.Mixing.Weight 0.10          # default=0.300 
scf.Min.Mixing.Weight  0.001         # default=0.001 
scf.Max.Mixing.Weight  0.700         # default=0.800 
scf.Mixing.History      7            # default=5
scf.Mixing.StartPulay   4            # default=6
scf.criterion         1.0e-13        # default=1.0e-9

#
# Pseudo potetial, cutoff (A.U.)
#

vps.type               MBK           # BHS|TM        
number.vps              6
<pseudo.NandL
 0  4  2  1.40  0.0 
 1  4  3  1.20  0.0 
 2  5  0  2.00  0.0 
 3  5  1  2.00  0.0
 4  6  0  2.70 -0.2
 5  6  1  2.60  0.2
pseudo.NandL> 
Blochl.projector.num    4            # default=1 which means KB-form
local.type           polynomial      # Simple|Polynomial
local.part.vps          1            # default=0
local.cutoff           1.50          # default=smallest_cutoff_vps
local.origin.ratio     2.20          # default=3.0
log.deri.RadF.calc      on           # ON|OFF
log.deri.MinE          -2.0          # default=-3.0 (Hartree)
log.deri.MaxE           2.0          # default= 2.0 (Hartree) 
log.deri.num            100          # default=50
<log.deri.R
 0  3.3 3.3
 1  3.3 3.3
 2  3.3 3.3
 3  3.3 3.3
log.deri.R>
ghost.check             off          # ON|OFF
 
#
# Core electron density for partial core correction
#   pcc.ratio=rho_core/rho_V,
#   pcc.ratio.origin = rho_core(orgin)/rho_core(ip)
#

charge.pcc.calc        on            # ON|OFF
pcc.ratio              0.3           # default=1.0     
pcc.ratio.origin      10.0           # default=6.0     

#
# Pseudo atomic orbitals
#

maxL.pao                3            # default=2
num.pao                15            # default=7 
radial.cutoff.pao      7.0           # default=5.0 (Bohr)
height.of.wall    20000.0            # default=4000.0 (Hartree)
rising.edge           0.2            # default=0.5(Bohr),r1=rc-rising.edge
search.LowerE       -3.000           # default=-3.000 (Hartree)
search.UpperE       60.000           # default=20.000 (Hartree)
num.of.partition     2000            # default=300
matching.point.ratio  0.67           # default=0.67

*****************************************************
    SCF history in all electron calculations      
*****************************************************

 SCF=   1  Eeigen=-4223.9393901540052 (Hartree)  NormRD=27824.2695104932282
 SCF=   2  Eeigen=-4221.6790158465647 (Hartree)  NormRD=27797.9860893459627
 SCF=   3  Eeigen=-4373.5974308686846 (Hartree)  NormRD=2220.3320942916894
 SCF=   4  Eeigen=-3518.6005684641091 (Hartree)  NormRD=686.9745827599081
 SCF=   5  Eeigen=-4034.3199837195862 (Hartree)  NormRD=124.0472890083467
 SCF=   6  Eeigen=-3686.2753396330259 (Hartree)  NormRD=  9.7059443635905
 SCF=   7  Eeigen=-3792.8476521775156 (Hartree)  NormRD=  2.7367736890217
 SCF=   8  Eeigen=-3729.6515764369246 (Hartree)  NormRD=  0.5464481473048
 SCF=   9  Eeigen=-3766.0806098243329 (Hartree)  NormRD=  0.2313413865742
 SCF=  10  Eeigen=-3743.6214064283868 (Hartree)  NormRD=  0.0769293928365
 SCF=  11  Eeigen=-3757.0167868718368 (Hartree)  NormRD=  0.0293997687711
 SCF=  12  Eeigen=-3748.8044042518045 (Hartree)  NormRD=  0.0106314045907
 SCF=  13  Eeigen=-3753.7531615063172 (Hartree)  NormRD=  0.0039464075019
 SCF=  14  Eeigen=-3750.7359094265885 (Hartree)  NormRD=  0.0014493027395
 SCF=  15  Eeigen=-3752.5619341569154 (Hartree)  NormRD=  0.0005345975916
 SCF=  16  Eeigen=-3751.4515456547583 (Hartree)  NormRD=  0.0001968789544
 SCF=  17  Eeigen=-3752.1247358072983 (Hartree)  NormRD=  0.0000725387755
 SCF=  18  Eeigen=-3751.7158295984477 (Hartree)  NormRD=  0.0000267255323
 SCF=  19  Eeigen=-3751.9639114569522 (Hartree)  NormRD=  0.0000098455605
 SCF=  20  Eeigen=-3751.8132894766904 (Hartree)  NormRD=  0.0000036274735
 SCF=  21  Eeigen=-3751.9046969304154 (Hartree)  NormRD=  0.0000013363627
 SCF=  22  Eeigen=-3751.8492089444726 (Hartree)  NormRD=  0.0000004923573
 SCF=  23  Eeigen=-3751.8828865164733 (Hartree)  NormRD=  0.0000001813913
 SCF=  24  Eeigen=-3751.8624441674360 (Hartree)  NormRD=  0.0000000668289
 SCF=  25  Eeigen=-3751.8748518195275 (Hartree)  NormRD=  0.0000000246209
 SCF=  26  Eeigen=-3751.8673205140353 (Hartree)  NormRD=  0.0000000090712
 SCF=  27  Eeigen=-3751.8718918882028 (Hartree)  NormRD=  0.0000000033421
 SCF=  28  Eeigen=-3751.8691171470773 (Hartree)  NormRD=  0.0000000012312
 SCF=  29  Eeigen=-3751.8708013153414 (Hartree)  NormRD=  0.0000000004537
 SCF=  30  Eeigen=-3751.8697790106999 (Hartree)  NormRD=  0.0000000001672
 SCF=  31  Eeigen=-3751.8700605625586 (Hartree)  NormRD=  0.0000000000123
 SCF=  32  Eeigen=-3751.8700733157884 (Hartree)  NormRD=  0.0000000000095
 SCF=  33  Eeigen=-3751.8700735268080 (Hartree)  NormRD=  0.0000000000094
 SCF=  34  Eeigen=-3751.8700737372637 (Hartree)  NormRD=  0.0000000000094
 SCF=  35  Eeigen=-3751.8700739472406 (Hartree)  NormRD=  0.0000000000093
 SCF=  36  Eeigen=-3751.8700741567359 (Hartree)  NormRD=  0.0000000000093
 SCF=  37  Eeigen=-3751.8700743657487 (Hartree)  NormRD=  0.0000000000093
 SCF=  38  Eeigen=-3751.8700745742867 (Hartree)  NormRD=  0.0000000000092
 SCF=  39  Eeigen=-3751.8700747823341 (Hartree)  NormRD=  0.0000000000092
 SCF=  40  Eeigen=-3751.8700749899194 (Hartree)  NormRD=  0.0000000000091
 SCF=  41  Eeigen=-3751.8700751970205 (Hartree)  NormRD=  0.0000000000091
 SCF=  42  Eeigen=-3751.8700754036449 (Hartree)  NormRD=  0.0000000000090
 SCF=  43  Eeigen=-3751.8700756098037 (Hartree)  NormRD=  0.0000000000090
 SCF=  44  Eeigen=-3751.8700758154878 (Hartree)  NormRD=  0.0000000000090
 SCF=  45  Eeigen=-3751.8700760206893 (Hartree)  NormRD=  0.0000000000089
 SCF=  46  Eeigen=-3751.8700762254239 (Hartree)  NormRD=  0.0000000000089
 SCF=  47  Eeigen=-3751.8700764296873 (Hartree)  NormRD=  0.0000000000088
 SCF=  48  Eeigen=-3751.8700766334900 (Hartree)  NormRD=  0.0000000000088
 SCF=  49  Eeigen=-3751.8700768368180 (Hartree)  NormRD=  0.0000000000088
 SCF=  50  Eeigen=-3751.8700770396781 (Hartree)  NormRD=  0.0000000000087
 SCF=  51  Eeigen=-3751.8700772420798 (Hartree)  NormRD=  0.0000000000087
 SCF=  52  Eeigen=-3751.8700774440049 (Hartree)  NormRD=  0.0000000000086
 SCF=  53  Eeigen=-3751.8700776454712 (Hartree)  NormRD=  0.0000000000086
 SCF=  54  Eeigen=-3751.8700778464818 (Hartree)  NormRD=  0.0000000000086
 SCF=  55  Eeigen=-3751.8700780470253 (Hartree)  NormRD=  0.0000000000085
 SCF=  56  Eeigen=-3751.8700782471042 (Hartree)  NormRD=  0.0000000000085
 SCF=  57  Eeigen=-3751.8700784467283 (Hartree)  NormRD=  0.0000000000084
 SCF=  58  Eeigen=-3751.8700786459040 (Hartree)  NormRD=  0.0000000000084
 SCF=  59  Eeigen=-3751.8700788446063 (Hartree)  NormRD=  0.0000000000084
 SCF=  60  Eeigen=-3751.8700790428652 (Hartree)  NormRD=  0.0000000000000

*****************************************************
 Eigenvalues (Hartree) in the all electron calculation
*****************************************************

                         j=l+1/2                j=l-1/2
 n=  1  l=  0     -1063.2260518735957    -1063.2260518735957
 n=  2  l=  0      -160.3821015984933     -160.3821015984933
 n=  2  l=  1      -141.4108500663189     -149.8550455628364
 n=  3  l=  0       -30.9099453720083      -30.9099453720083
 n=  3  l=  1       -25.0947556572332      -26.6355920219406
 n=  3  l=  2       -17.1977986383441      -17.5156883308719
 n=  4  l=  0        -4.8900745707449       -4.8900745707449
 n=  4  l=  1        -3.1875526885388       -3.4677280928920
 n=  4  l=  2        -0.9263313253734       -0.9645874217200
 n=  5  l=  0        -0.3945846086489       -0.3945846086489
 n=  5  l=  1        -0.1355023313626       -0.1524598136945


*****************************************************
 Energies (Hartree) in the all electron calculation 
*****************************************************

 Eeigen =    -3751.8700790428652
 Ekin   =     6529.4415378929125
 EHart  =     2483.9397567478809
 Exc    =     -160.2742779785183
 Eec    =   -15036.6342759412873
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -6183.5272592790125


***********************************************************
** DATA for factorized norm conserving pseudo potentials **
***********************************************************

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =    3.8713212220    3.8713212220
<VPS> L=0, dif of log deris for semi local    = 1165.6329732624 1165.6329732624
<VPS> L=1, dif of log deris for all electrons =  115.6434278542    0.1771557278
<VPS> L=1, dif of log deris for semi local    =    3.6328828431    3.7720810794
<VPS> L=2, dif of log deris for all electrons =    0.6886305091    0.8532402651
<VPS> L=2, dif of log deris for semi local    =   49.3883148469  105.4244682068
<VPS> L=3, dif of log deris for all electrons =   29.3399759538  298.8056699425
<VPS> L=3, dif of log deris for semi local    =   59.1437925835  411.8957044571

<project.energies
12
 0    1.00000000000000e+00   1.00000000000000e+00
 0    1.00000000000000e+00   1.00000000000000e+00
 1    1.00000000000000e+00   1.00000000000000e+00
 1    1.00000000000000e+00   1.00000000000000e+00
 2   -1.00000000000000e+00  -1.00000000000000e+00
 2   -1.00000000000000e+00  -1.00000000000000e+00
 2   -1.00000000000000e+00  -1.00000000000000e+00
 2   -1.00000000000000e+00  -1.00000000000000e+00
 3   -1.00000000000000e+00  -1.00000000000000e+00
 3   -1.00000000000000e+00  -1.00000000000000e+00
 3   -1.00000000000000e+00  -1.00000000000000e+00
 3   -1.00000000000000e+00  -1.00000000000000e+00
project.energies>

<Pseudo.Potentials
-9.00000000000000e+00 1.23409804086680e-04  -2.05230270411684e+01   -2.18408052697193e+00 -2.18408052697193e+00  2.53319320234063e+00 2.53319320234063e+00  3.87540346885754e-03 2.91814160492861e-03  2.30357006695692e-04 2.96392771153080e-04  -7.39941347547011e-07 -7.70680755385469e-07  1.44691489446184e-06 1.50098108313899e-06  -2.26061275867164e-06 -2.33868475298646e-06  3.16060453209424e-06 3.26233227111631e-06  -5.67492404871081e-10 -5.70334946332827e-10  1.41094976325771e-09 1.41675248424369e-09  -2.54466211332207e-09 -2.55400280720249e-09  3.95185228444980e-09 3.96523086587289e-09
-8.97555310621243e+00 1.26463970795229e-04  -2.05230270411684e+01   -2.18408059034609e+00 -2.18408059034609e+00  2.53319320587230e+00 2.53319320587230e+00  3.97131251025726e-03 2.99036018947758e-03  2.36057928028359e-04 3.03727955130748e-04  -7.77018926813813e-07 -8.09298649732077e-07  1.51941807578556e-06 1.57619345671675e-06  -2.37388937042297e-06 -2.45587345928685e-06  3.31897865923579e-06 3.42580385396362e-06  -6.10676918552410e-10 -6.13735769109572e-10  1.51831891715612e-09 1.52456320824411e-09  -2.73830346411820e-09 -2.74835495749257e-09  4.25257669516576e-09 4.26697334751699e-09
-8.95110621242485e+00 1.29593722538150e-04  -2.05230270411684e+01   -2.18408065689608e+00 -2.18408065689608e+00  2.53319320958099e+00 2.53319320958099e+00  4.06959511728616e-03 3.06436604587294e-03  2.41899937271615e-04 3.11244671903738e-04  -8.15954419331067e-07 -8.49851640677575e-07  1.59555430500322e-06 1.65517463257523e-06  -2.49284213800881e-06 -2.57893435180480e-06  3.48528872488854e-06 3.59746680273571e-06  -6.57147647433456e-10 -6.60439267575175e-10  1.63385854966917e-09 1.64057801305152e-09  -2.94668035541284e-09 -2.95749673804200e-09  4.57618535407900e-09 4.59167754957573e-09
-8.92665931863727e+00 1.32800929906659e-04  -2.05230270411684e+01   -2.18408072678091e+00 -2.18408072678091e+00  2.53319321347559e+00 2.53319321347559e+00  4.17031003077324e-03 3.14020340537161e-03  2.47886526134408e-04 3.18947414108452e-04  -8.56840922907654e-07 -8.92436693595823e-07  1.67550562979563e-06 1.73811346088465e-06  -2.61775548680294e-06 -2.70816167876129e-06  3.65993238943085e-06 3.77773157697194e-06  -7.07154662869010e-10 -7.10696765679399e-10  1.75819041029661e-09 1.76542120519394e-09  -3.17091411869279e-09 -3.18255359640976e-09  4.92441968547301e-09 4.94109079174100e-09
-8.90221242484970e+00 1.36087509785682e-04  -2.05230270411684e+01   -2.18408080016784e+00 -2.18408080016784e+00  2.53319321756541e+00 2.53319321756541e+00  4.27351744523180e-03 3.21791759383900e-03  2.54021272742249e-04 3.26840785568251e-04  -8.99776200371487e-07 -9.37155632678716e-07  1.75946322003355e-06 1.82520825486966e-06  -2.74892809439195e-06 -2.84386443280101e-06  3.84332723952337e-06 3.96702920384448e-06  -7.60967065910308e-10 -7.64778712387243e-10  1.89198356185098e-09 1.89976459909458e-09  -3.41221141548120e-09 -3.42473662341216e-09  5.29915363091014e-09 5.31709335960701e-09
-8.87776553106212e+00 1.39455426499535e-04  -2.05230270411684e+01   -2.18408087723222e+00 -2.18408087723222e+00  2.53319322186022e+00 2.53319322186022e+00  4.37927904483200e-03 3.29755505883593e-03  2.60307843776114e-04 3.34929504045311e-04  -9.44862913327937e-07 -9.84115384405639e-07  1.84762782487950e-06 1.91666726499150e-06  -2.88667360473618e-06 -2.98636708981757e-06  4.03591178659090e-06 4.16581230877730e-06  -8.18874435408929e-10 -8.22976137036332e-10  2.03595798086160e-09 2.04433113228288e-09  -3.67187073070234e-09 -3.68534907032280e-09  5.70240373340685e-09 5.72170862298403e-09
-8.85331863727455e+00 1.42906692985967e-04  -2.05230270411684e+01   -2.18408095815841e+00 -2.18408095815841e+00  2.53319322637031e+00 2.53319322637031e+00  4.48765804026371e-03 3.37916339737572e-03  2.66749996664255e-04 3.43218404060620e-04  -9.92208867631582e-07 -1.03342823321284e-06  1.94021025279438e-06 2.01270917689076e-06  -3.03132137811652e-06 -3.13601038480007e-06  4.23814651533679e-06 4.37455619770828e-06  -8.81188386317090e-10 -8.85602215442642e-10  2.19088843195836e-09 2.19989875571225e-09  -3.95128936017186e-09 -3.96579336201181e-09  6.13633998898406e-09 6.15711392418583e-09
-8.82887174348697e+00 1.46443371999250e-04  -2.05230270411684e+01   -2.18408104313984e+00 -2.18408104313984e+00  2.53319323110646e+00 2.53319323110646e+00  4.59871920651111e-03 3.46279138436808e-03  2.73351581828331e-04 3.51712439783749e-04  -1.04192727115823e-06 -1.08521208997409e-06  2.03743187559658e-06 2.11356363428138e-06  -3.18321727865985e-06 -3.29315212655642e-06  4.45051498479680e-06 4.59375999358182e-06  -9.48244246569980e-10 -9.52993955182262e-10  2.35760863708483e-09 2.36730462011961e-09  -4.25197092981456e-09 -4.26757864376444e-09  6.60329752398883e-09 6.62565229488351e-09
-8.80442484969940e+00 1.50067577343047e-04  -2.05230270411684e+01   -2.18408113237976e+00 -2.18408113237976e+00  2.53319323607999e+00 2.53319323607999e+00  4.71252892156203e-03 3.54848900176659e-03  2.80116544985121e-04 3.60416687994169e-04  -1.09413700449359e-06 -1.13959077393459e-06  2.13952515777886e-06 2.21947178804641e-06  -3.34272450132668e-06 -3.45816805326163e-06  4.67352498456592e-06 4.82394782979001e-06  -1.02040286157388e-09 -1.02551400911811e-09  2.53701576197604e-09 2.54744958095440e-09  -4.57553348707235e-09 -4.59232890239006e-09  7.10578916102553e-09 7.12984506457734e-09
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3.07676553106212e+00 2.16881392128074e+01  -6.45514115528405e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  4.87015437339464e-22 2.65399629295013e-22  1.04325095324736e-21 5.73160582748219e-22  1.52778780853116e-21 8.46246991165915e-22  1.89417183301972e-21 1.05791633727178e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.10121242484970e+00 2.22248809509891e+01  -6.29924634116890e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  1.87011220988681e-22 1.00405954113269e-22  4.00602567092290e-22 2.16838038850156e-22  5.86662025409199e-22 3.20152053776970e-22  7.27351452574189e-22 4.00230773025896e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.12565931863728e+00 2.27749060645070e+01  -6.14711646296327e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  7.02158330813292e-23 3.71278545832917e-23  1.50411525125678e-22 8.01818103380657e-23  2.20270006045935e-22 1.18384999992555e-22  2.73093709228330e-22 1.47996301838415e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.15010621242485e+00 2.33385432925810e+01  -5.99866059562064e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  2.57672957550600e-23 1.34134528222527e-23  5.51969275403855e-23 2.89678717417117e-23  8.08330847085244e-23 4.27698187207347e-23  1.00217942952609e-22 5.34677112205682e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.17455310621243e+00 2.39161295101248e+01  -5.85379000997916e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  9.23973623560458e-24 4.73331561083215e-24  1.97927270330552e-23 1.02221315634153e-23  2.89854390620385e-23 1.50925382948963e-23  3.59365362022346e-23 1.88675917358434e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.19900000000000e+00 2.45080099290896e+01  -5.71241811973497e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  3.23872913887276e-24 1.63204802529141e-24  6.93778265109150e-24 3.52459269529153e-24  1.01600287719156e-23 5.20390975847279e-24  1.25965399607657e-23 6.50554881788131e-24  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
Pseudo.Potentials>


***********************************************************
**            Core electron densities for PCC            **
***********************************************************
<density.PCC
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1.16990781563126e+00 3.22169563486080e+00  2.55089405538306e-06
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1.21880160320641e+00 3.38313096999386e+00  1.05573364892622e-06
1.24324849699399e+00 3.46685726755740e+00  6.73734199955889e-07
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1.80552705410822e+00 6.08317676706408e+00  9.16724366433997e-10
1.82997394789579e+00 6.23372425477536e+00  7.44094835288784e-10
1.85442084168337e+00 6.38799751718036e+00  6.01745108112755e-10
1.87886773547094e+00 6.54608876038150e+00  4.84758114905881e-10
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1.92776152304609e+00 6.87410547971650e+00  3.10801116523272e-10
1.95220841683367e+00 7.04422700500848e+00  2.47287461887256e-10
1.97665531062124e+00 7.21855872658753e+00  1.95883107101789e-10
2.00110220440882e+00 7.39720483910361e+00  1.54454877422081e-10
2.02554909819639e+00 7.58027211583347e+00  1.21212941794471e-10
2.04999599198397e+00 7.76786997249700e+00  9.46609285120511e-11
2.07444288577154e+00 7.96011053265283e+00  7.35525193023932e-11
2.09888977955912e+00 8.15710869471238e+00  5.68537579779483e-11
2.12333667334669e+00 8.35898220061240e+00  4.37104096917699e-11
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2.22112424849699e+00 9.21768801468314e+00  1.44246722475574e-11
2.24557114228457e+00 9.44580891701008e+00  1.07692564961823e-11
2.27001803607215e+00 9.67957539401861e+00  7.98921527055900e-12
2.29446492985972e+00 9.91912716334599e+00  5.88831685301789e-12
2.31891182364730e+00 1.01646074003852e+01  4.31099196751837e-12
2.34335871743487e+00 1.04161628238582e+01  3.13467763893320e-12
2.36780561122245e+00 1.06739437835064e+01  2.26344022891461e-12
2.39225250501002e+00 1.09381043499523e+01  1.62269383989662e-12
2.41669939879760e+00 1.12088024067842e+01  1.15485235142582e-12
2.44114629258517e+00 1.14861997449201e+01  8.15773094475886e-13
2.46559318637275e+00 1.17704621593069e+01  5.71867871816309e-13
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2.51448697394790e+00 1.23602660137734e+01  2.74484082117462e-13
2.53893386773547e+00 1.26661599680460e+01  1.87875263847140e-13
2.56338076152305e+00 1.29796242376465e+01  1.27532138002321e-13
2.58782765531062e+00 1.33008461740193e+01  8.58406534586842e-14
2.61227454909820e+00 1.36300177652139e+01  5.72814421690039e-14
2.63672144288577e+00 1.39673357506328e+01  3.78882827769527e-14
2.66116833667335e+00 1.43130017386184e+01  2.48362795624579e-14
2.68561523046092e+00 1.46672223269502e+01  1.61315942752501e-14
2.71006212424850e+00 1.50302092263250e+01  1.03799053385165e-14
2.73450901803607e+00 1.54021793868913e+01  6.61528602125196e-15
2.75895591182365e+00 1.57833551279168e+01  4.17497783479392e-15
2.78340280561122e+00 1.61739642706641e+01  2.60866599345366e-15
2.80784969939880e+00 1.65742402745547e+01  1.61341872651608e-15
2.83229659318637e+00 1.69844223767035e+01  9.87512435753461e-16
2.85674348697395e+00 1.74047557349061e+01  5.98004338861843e-16
2.88119038076152e+00 1.78354915741645e+01  3.58202446576741e-16
2.90563727454910e+00 1.82768873368397e+01  2.12181743976037e-16
2.93008416833667e+00 1.87292068365197e+01  1.24260198817136e-16
2.95453106212425e+00 1.91927204156958e+01  7.19260643562725e-17
2.97897795591182e+00 1.96677051073412e+01  4.11388909897069e-17
3.00342484969940e+00 2.01544448004876e+01  2.32438748108455e-17
3.02787174348697e+00 2.06532304099010e+01  1.29696149326024e-17
3.05231863727455e+00 2.11643600499547e+01  7.14456126203386e-18
3.07676553106212e+00 2.16881392128074e+01  3.88431078283601e-18
3.10121242484970e+00 2.22248809509891e+01  2.08349152144697e-18
3.12565931863728e+00 2.27749060645070e+01  1.10215198944605e-18
3.15010621242485e+00 2.33385432925810e+01  5.74733752162963e-19
3.17455310621243e+00 2.39161295101248e+01  2.95268415676522e-19
3.19900000000000e+00 2.45080099290896e+01  1.49326876784523e-19
density.PCC>