openmx-data 3.7.6-1 / usr / share / openmx / DFT_DATA13 / VPS / Ba_PBE13.vps

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

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name           Ba_PBE13
Log.print             OFF            # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile    Ba_PBE13        # default=null

#
# Calculation type
#

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

#
# Atom
#

AtomSpecies             56
max.occupied.N           6
total.electron        56.0
valence.electron      10.0 
<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  6.0   0.0  0.0  0.0
 6   2.0  0.0   0.0  0.0  0.0  0.0
occupied.electrons>

#
# parameters for solving 1D-differential equations
#

grid.xmin             -9.7           # 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  0.600         # 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  3  2.01  0.08  
 1  5  0  1.70  0.0  
 2  5  1  1.90  0.0  
 3  5  2  2.50  0.4  
 4  5  3  2.90  0.49
 5  6  0  3.20  0.0
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           2.40          # default=smallest_cutoff_vps
local.origin.ratio     2.00          # 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  3.6 3.6 
 1  3.3 3.3 
 2  3.0 3.0 
 3  3.5 3.5 
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              0.15          # default=1.0     
pcc.ratio.origin       8.0           # default=6.0     

#
# Pseudo atomic orbitals
#

maxL.pao                3            # default=2
num.pao                15            # default=7 
radial.cutoff.pao     10.0           # 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     3000            # default=300
matching.point.ratio  0.67           # default=0.67



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


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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0     -1365.3337476546526    -1365.3337476546526
 n=  2  l=  0      -215.5928789051780     -215.5928789051780
 n=  2  l=  1      -189.1447590603005     -203.1250367459262
 n=  3  l=  0       -45.4742926648689      -45.4742926648689
 n=  3  l=  1       -37.5310374109017      -40.2322119062466
 n=  3  l=  2       -27.7303216689801      -28.3054465631333
 n=  4  l=  0        -8.9086677108746       -8.9086677108746
 n=  4  l=  1        -6.4400789384448       -7.0025453083166
 n=  4  l=  2        -3.2267332135581       -3.3221196329173
 n=  5  l=  0        -1.2264852805729       -1.2264852805729
 n=  5  l=  1        -0.6588689552842       -0.7343398707973
 n=  6  l=  0        -0.1182597448438       -0.1182597448438


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

 Eeigen =    -5040.8384039035791
 Ekin   =     8735.9271735068614
 EHart  =     3173.0147363679457
 Exc    =     -196.9050147056004
 Eec    =   -19866.9779186643791
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -8154.9410234951720


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =   28.0885622546   28.0885622546
<VPS> L=0, dif of log deris for semi local    =  754.6176578382  754.6176578382
<VPS> L=1, dif of log deris for all electrons = 7594.2776091554 54841.1343024578
<VPS> L=1, dif of log deris for semi local    = 12015.0238282084   15.1254596755
<VPS> L=2, dif of log deris for all electrons =    3.4542000833    0.1553791588
<VPS> L=2, dif of log deris for semi local    =    5.0016222374    0.1122704856
<VPS> L=3, dif of log deris for all electrons =   41.3518186116   97.0025849978
<VPS> L=3, dif of log deris for semi local    = 1729.4871509419 469988.6386898342

<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
 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
project.energies>

<Pseudo.Potentials
-9.70000000000000e+00 6.12834950532221e-05  -8.33177041876245e+00   -1.42328900592025e+00 -1.42328900592025e+00  3.25926246081293e+00 3.25926246081293e+00  2.22458951451098e-04 2.64392182192352e-04  5.62250019686319e-04 5.92698960737359e-04  1.07683125883053e-05 9.08165150463255e-04  8.79081665138562e-04 8.79096159255179e-04  6.26679894295645e-09 5.95838025583541e-09  1.30148388376813e-08 1.17223255273788e-08  2.02274070870856e-08 1.89970263779478e-08  3.03204113751217e-08 4.76506215771835e-09  -1.76183660096209e-11 1.80797842826138e-11  -1.97570004486852e-11 -2.41489898235991e-11
-9.67415030060120e+00 6.28883075778864e-05  -8.33177041876245e+00   -1.42328899443122e+00 -1.42328899443122e+00  3.25926246211377e+00 3.25926246211377e+00  2.28284417376469e-04 2.71315741067705e-04  5.76973492538547e-04 6.08219790884885e-04  1.10502991700021e-05 9.31946999227631e-04  9.02101913411387e-04 9.02116787077309e-04  6.59930993062582e-09 6.27452681194297e-09  1.37053950463229e-08 1.23443020861326e-08  2.13006559942898e-08 2.00049923381080e-08  3.19291864533092e-08 5.01789227855112e-09  -1.90390280251849e-11 1.95376528928659e-11  -2.13501118360771e-11 -2.60962505269716e-11
-9.64830060120240e+00 6.45351448473385e-05  -8.33177041876245e+00   -1.42328898233257e+00 -1.42328898233257e+00  3.25926246348369e+00 3.25926246348369e+00  2.34262433033679e-04 2.78420605105962e-04  5.92082524566109e-04 6.24147060364240e-04  1.13396700503622e-05 9.56351616144963e-04  9.25724986035434e-04 9.25740249189538e-04  6.94946366665681e-09 6.60744783367976e-09  1.44325915762871e-08 1.29992801886928e-08  2.24308505699225e-08 2.10664401094362e-08  3.36233217604558e-08 5.28413734933975e-09  -2.05742455305585e-11 2.11130771572979e-11  -2.30716842135248e-11 -2.82005291506292e-11
-9.62245090180361e+00 6.62251073509798e-05  -8.33177041876245e+00   -1.42328896959196e+00 -1.42328896959196e+00  3.25926246492637e+00 3.25926246492637e+00  2.40396993196929e-04 2.85711522091182e-04  6.07587212291852e-04 6.40491412480670e-04  1.16366185998524e-05 9.81395309458660e-04  9.49966668991947e-04 9.49982331833350e-04  7.31819626017222e-09 6.95803335982993e-09  1.51983725316574e-08 1.36890108687235e-08  2.36210123024145e-08 2.21842073910654e-08  3.54073464372844e-08 5.56450915586479e-09  -2.22332557405067e-11 2.28155362097778e-11  -2.49320760691861e-11 -3.04744868787633e-11
-9.59660120240481e+00 6.79593243963978e-05  -8.33177041876245e+00   -1.42328895617532e+00 -1.42328895617532e+00  3.25926246644573e+00 3.25926246644573e+00  2.46692197250389e-04 2.93193364136235e-04  6.23497916633324e-04 6.57263769252567e-04  1.19413432527144e-05 1.00709481447138e-03  9.74843161645231e-04 9.74859234640164e-04  7.70649348944378e-09 7.32722065387391e-09  1.60047851690194e-08 1.44153380682401e-08  2.48743229978000e-08 2.33612824480323e-08  3.72860299368907e-08 5.85975725066615e-09  -2.40260407152478e-11 2.46552735368408e-11  -2.69424811507877e-11 -3.29318058336562e-11
-9.57075150300601e+00 6.97389548640196e-05  -8.33177041876245e+00   -1.42328894204677e+00 -1.42328894204677e+00  3.25926246804584e+00 3.25926246804584e+00  2.53152251927575e-04 3.00871130938552e-04  6.39825269826288e-04 6.74475338709900e-04  1.22540476395027e-05 1.03346730472805e-03  1.00037108756733e-03 1.00038758145608e-03  8.11539343729355e-09 7.71599670968909e-09  1.68539853706374e-08 1.51802035672392e-08  2.61941332860086e-08 2.46008121001482e-08  3.92643947754460e-08 6.17067095689195e-09  -2.59633874212783e-11 2.66433586114849e-11  -2.91149958170088e-11 -3.55872713993007e-11
-9.54490180360721e+00 7.15651879815267e-05  -8.33177041876245e+00   -1.42328892716855e+00 -1.42328892716855e+00  3.25926246973100e+00 3.25926246973100e+00  2.59781474122477e-04 3.08749953121145e-04  6.56580182529686e-04 6.92137622383963e-04  1.25749407231772e-05 1.06053040349209e-03  1.02656750564677e-03 1.02658443145086e-03  8.54598926632886e-09 8.12540089020245e-09  1.77482434080416e-08 1.59856521749005e-08  2.75839715785237e-08 2.59061101347874e-08  4.13477299595274e-08 6.49808147850074e-09  -2.80569526352197e-11 2.87917534968231e-11  -3.14626918197576e-11 -3.84568611832032e-11
-9.51905210420842e+00 7.34392441185496e-05  -8.33177041876245e+00   -1.42328891150087e+00 -1.42328891150087e+00  3.25926247150571e+00 3.25926247150571e+00  2.66584293774305e-04 3.16835095661125e-04  6.73773851116647e-04 7.10262422993229e-04  1.29042369387560e-05 1.08830219552207e-03  1.05344992148816e-03 1.05346729051770e-03  8.99943214142865e-09 8.55652770604762e-09  1.86899500114261e-08 1.68338371962284e-08  2.90475535013236e-08 2.72806661660484e-08  4.35416051258801e-08 6.84286412242503e-09  -3.03193330812050e-11 3.11133848203410e-11  -3.39996949552661e-11 -4.15578411516445e-11
-9.49320240480962e+00 7.53623756021730e-05  -8.33177041876245e+00   -1.42328889500185e+00 -1.42328889500185e+00  3.25926247337471e+00 3.25926247337471e+00  2.73565256827766e-04 3.25131961407987e-04  6.91417765156389e-04 7.28861852330452e-04  1.32421563366041e-05 1.11680123915676e-03  1.08103629911018e-03 1.08105412297143e-03  9.47693430729433e-09 9.01052974165484e-09  1.96816227610816e-08 1.77270261887470e-08  3.05887918283209e-08 2.87281549639677e-08  4.58518854314149e-08 7.20594063863608e-09  -3.27641412238127e-11 3.36222215518187e-11  -3.67412700572377e-11 -4.49088695168325e-11
-9.46735270541082e+00 7.73358675537953e-05  -8.33177041876245e+00   -1.42328887762737e+00 -1.42328887762737e+00  3.25926247534301e+00 3.25926247534301e+00  2.80729028270870e-04 3.33646094694036e-04  7.09523715092070e-04 7.47948339356298e-04  1.35889247294898e-05 1.14604657871663e-03  1.10934507294994e-03 1.10936336355307e-03  9.97977232929271e-09 9.48862073659692e-09  2.07259128179540e-08 1.86676070246411e-08  3.22118069418647e-08 3.02524462787371e-08  4.82847472332545e-08 7.58828168437462e-09  -3.54060871725865e-11 3.63333590528961e-11  -3.97039128434355e-11 -4.85301090010212e-11
-9.44150300601202e+00 7.93610387479043e-05  -8.33177041876245e+00   -1.42328885933100e+00 -1.42328885933100e+00  3.25926247741587e+00 3.25926247741587e+00  2.88080395252279e-04 3.42383185039355e-04  7.28103800119675e-04 7.67534638504930e-04  1.39447738434717e-05 1.17605775723009e-03  1.13839516018172e-03 1.13841392974874e-03  1.05092905062554e-08 9.99207883042854e-09  2.18256120113180e-08 1.96580942745489e-08  3.39209378482641e-08 3.18576151861816e-08  5.08466946007509e-08 7.99090941912450e-09  -3.82610671909471e-11 3.92631099040003e-11  -4.29054491683467e-11 -5.24433481530737e-11
-9.41565330661323e+00 8.14392424933401e-05  -8.33177041876245e+00   -1.42328884006381e+00 -1.42328884006381e+00  3.25926247959884e+00 3.25926247959884e+00  2.95624270280294e-04 3.51349070953797e-04  7.47170436273247e-04 7.87633838207092e-04  1.43099414727631e-05 1.20685482949307e-03  1.16820597335823e-03 1.16822523443119e-03  1.10669044643583e-08 1.05222499796942e-08  2.29836603025197e-08 2.07011359300739e-08  3.57207537777922e-08 3.35479529821652e-08  5.35445767036191e-08 8.41490023728454e-09  -4.13462593420473e-11 4.24291020551264e-11  -4.63651422791089e-11 -5.66721324474176e-11
-9.38980360721443e+00 8.35718675376360e-05  -8.33177041876245e+00   -1.42328881977431e+00 -1.42328881977431e+00  3.25926248189776e+00 3.25926248189776e+00  3.03365694505610e-04 3.60549743838533e-04  7.66736364721824e-04 8.08259369636377e-04  1.46846716386258e-05 1.23845837547044e-03  1.19879743338300e-03 1.19881719883233e-03  1.16541049416897e-08 1.10805515562395e-08  2.42031536447363e-08 2.17995204829864e-08  3.76160664001699e-08 3.53279786550392e-08  5.63856061226658e-08 8.86138764582184e-09  -4.46802268470546e-11 4.58503848910337e-11  -5.01038087200431e-11 -6.12419059541951e-11
-9.36395390781563e+00 8.57603389950407e-05  -8.33177041876245e+00   -1.42328879840821e+00 -1.42328879840821e+00  3.25926248431877e+00 3.25926248431877e+00  3.11309841090037e-04 3.69991351989772e-04  7.86814660283661e-04 8.29425015684530e-04  1.50692147524405e-05 1.27088951404854e-03  1.23018998282234e-03 1.23021026585547e-03  1.22724617736232e-08 1.16684761364455e-08  2.54873522597694e-08 2.29561843800422e-08  3.96119426881955e-08 3.72024509668103e-08  5.93773781320714e-08 9.33156529461726e-09  -4.82830297777600e-11 4.95475438490396e-11  -5.41439435831809e-11 -6.61801644330216e-11
-9.33810420841683e+00 8.80061192988431e-05  -8.33177041876245e+00   -1.42328877590844e+00 -1.42328877590844e+00  3.25926248686835e+00 3.25926248686835e+00  3.19462018663439e-04 3.79680204707332e-04  8.07418740163406e-04 8.51144920171801e-04  1.54638277830496e-05 1.30416991714772e-03  1.26240459956605e-03 1.26242541373624e-03  1.29236280896527e-08 1.22875954915176e-08  2.68396893539979e-08 2.41742198733481e-08  4.17137184639116e-08 3.91763811753301e-08  6.25278910047795e-08 9.82669016760142e-09  -5.21763457555502e-11 5.35428242790502e-11  -5.85098558583934e-11 -7.15166207714932e-11
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3.09560120240481e+00 2.21005214309236e+01  -4.52478011986658e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -7.20766091655018e-19 -2.04512025884103e-19  2.10840816031475e-18 8.21759573282112e-19  -3.37174820109618e-18 7.11484443449197e-19  -1.82050127428701e-18 -2.39547362878478e-19  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.12145090180361e+00 2.26792611644058e+01  -4.40931471627221e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -3.74471890697718e-19 -1.02396206150621e-19  1.09541722303030e-18 4.11443103889830e-19  -1.75178180491729e-18 3.56229945157907e-19  -9.45836051593826e-19 -1.19937891219628e-19  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.14730060120240e+00 2.32731561819005e+01  -4.29679581147463e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -1.88533229708146e-19 -4.96329851326363e-20  5.51503469646557e-19 1.99432676582155e-19  -8.81959607161856e-19 1.72670025966943e-19  -4.76194689160771e-19 -5.81357043355665e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.17315030060120e+00 2.38826033502897e+01  -4.18714821539100e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -9.22285143608210e-20 -2.33522910865392e-20  2.69789817730189e-19 9.38329601572519e-20  -4.31445557074429e-19 8.12411483590832e-20  -2.32949537844946e-19 -2.73528155892715e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  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  -4.08029865667176e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -4.39127793632858e-20 -1.06828109475764e-20  1.28455075124362e-19 4.29251147275387e-20  -2.05424251788266e-19 3.71648257501847e-20  -1.10914305940060e-19 -1.25129031970990e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  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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-9.67415030060120e+00 6.28883075778864e-05  2.13168538282698e-01
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-9.51905210420842e+00 7.34392441185496e-05  2.13168538282698e-01
-9.49320240480962e+00 7.53623756021730e-05  2.13168538282698e-01
-9.46735270541082e+00 7.73358675537953e-05  2.13168538282698e-01
-9.44150300601202e+00 7.93610387479043e-05  2.13168538282698e-01
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-9.31225450901804e+00 9.03107091786341e-05  2.13168538282698e-01
-9.28640480961924e+00 9.26756486631612e-05  2.13168538282698e-01
-9.26055511022044e+00 9.51025181094430e-05  2.13168538282698e-01
-9.23470541082164e+00 9.75929392588340e-05  2.13168538282698e-01
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-8.87280961923848e+00 1.40148270715936e-04  2.13168538282698e-01
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-8.76941082164329e+00 1.55415120905016e-04  2.13168538282698e-01
-8.74356112224449e+00 1.59484930114396e-04  2.13168538282698e-01
-8.71771142284569e+00 1.63661314198243e-04  2.13168538282699e-01
-8.69186172344689e+00 1.67947064000865e-04  2.13168538282699e-01
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-8.53676352705411e+00 1.96123984047080e-04  2.13168538282699e-01
-8.51091382765531e+00 2.01259824059345e-04  2.13168538282699e-01
-8.48506412825651e+00 2.06530154775334e-04  2.13168538282699e-01
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-8.38166533066132e+00 2.29028219977105e-04  2.13168538282699e-01
-8.35581563126252e+00 2.35025713357690e-04  2.13168538282699e-01
-8.32996593186373e+00 2.41180261300607e-04  2.13168538282700e-01
-8.30411623246493e+00 2.47495976546627e-04  2.13168538282700e-01
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-7.58032464929860e+00 5.10395496574422e-04  2.13168538282745e-01
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1.00177555110220e+00 2.72311256409555e+00  4.08415434787906e-05
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1.05347494989980e+00 2.86759858599602e+00  1.79191698914811e-05
1.07932464929860e+00 2.94269153104622e+00  1.17062421776670e-05
1.10517434869739e+00 3.01975091255090e+00  7.57708347921628e-06
1.13102404809619e+00 3.09882822499236e+00  4.85963978706607e-06
1.15687374749499e+00 3.17997631132347e+00  3.08889661769673e-06
1.18272344689379e+00 3.26324939827968e+00  1.94646038032220e-06
1.20857314629258e+00 3.34870313261573e+00  1.21665350303015e-06
1.23442284569138e+00 3.43639461829123e+00  7.54967961106788e-07
1.26027254509018e+00 3.52638245463009e+00  4.65655384554720e-07
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1.38952104208417e+00 4.01292756921161e+00  4.18015489084880e-08
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1.44122044088176e+00 4.22585007131268e+00  1.77673113294679e-08
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1.54461923847695e+00 4.68618696759169e+00  5.48588281684165e-09
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1.62216833667335e+00 5.06405900521833e+00  3.53398021491254e-09
1.64801803607214e+00 5.19667000121579e+00  3.17949303594661e-09
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1.69971743486974e+00 5.47240086357717e+00  2.62247452283262e-09
1.72556713426854e+00 5.61570498548186e+00  2.38300777501624e-09
1.75141683366733e+00 5.76276176949351e+00  2.15761734229412e-09
1.77726653306613e+00 5.91366948545044e+00  1.94280809794407e-09
1.80311623246493e+00 6.06852897655378e+00  1.73753434064775e-09
1.82896593186373e+00 6.22744372675534e+00  1.54217283536411e-09
1.85481563126252e+00 6.39051992991020e+00  1.35779183740021e-09
1.88066533066132e+00 6.55786656074008e+00  1.18564066389673e-09
1.90651503006012e+00 6.72959544765511e+00  1.02681686481454e-09
1.93236472945892e+00 6.90582134748249e+00  8.82077083161180e-10
1.95821442885772e+00 7.08666202215206e+00  7.51758684276306e-10
1.98406412825651e+00 7.27223831739004e+00  6.35780065906725e-10
2.00991382765531e+00 7.46267424347349e+00  5.33690712341637e-10
2.03576352705411e+00 7.65809705809944e+00  4.44747238681807e-10
2.06161322645291e+00 7.85863735142408e+00  3.67997697438756e-10
2.08746292585170e+00 8.06442913332893e+00  3.02362215162159e-10
2.11331262525050e+00 8.27560992297212e+00  2.46702933879645e-10
2.13916232464930e+00 8.49232084068476e+00  1.99880007607224e-10
2.16501202404810e+00 8.71470670227379e+00  1.60793066868072e-10
2.19086172344689e+00 8.94291611579434e+00  1.28409275832528e-10
2.21671142284569e+00 9.17710158085609e+00  1.01780063740769e-10
2.24256112224449e+00 9.41741959053038e+00  8.00490081690598e-11
2.26841082164329e+00 9.66403073592567e+00  6.24533024471915e-11
2.29426052104208e+00 9.91709981350170e+00  4.83210209792142e-11
2.32011022044088e+00 1.01767959351937e+01  3.70658719502679e-11
2.34595991983968e+00 1.04432926414205e+01  2.81806741901962e-11
2.37180961923848e+00 1.07167680170519e+01  2.12303734096741e-11
2.39765931863727e+00 1.09974048104129e+01  1.58450351455294e-11
2.42350901803607e+00 1.12853905554039e+01  1.17130248547555e-11
2.44935871743487e+00 1.15809176968195e+01  8.57445576383670e-12
2.47520841683367e+00 1.18841837189487e+01  6.21493294566378e-12
2.50105811623246e+00 1.21953912775420e+01  4.45961550794073e-12
2.52690781563126e+00 1.25147483352357e+01  3.16763036957243e-12
2.55275751503006e+00 1.28424683005210e+01  2.22688271212723e-12
2.57860721442886e+00 1.31787701703537e+01  1.54931096496546e-12
2.60445691382765e+00 1.35238786764970e+01  1.06662648421709e-12
2.63030661322645e+00 1.38780244356975e+01  7.26562312626774e-13
2.65615631262525e+00 1.42414441037934e+01  4.89635884589289e-13
2.68200601202405e+00 1.46143805338588e+01  3.26410792004852e-13
2.70785571142284e+00 1.49970829384879e+01  2.15226005656216e-13
2.73370541082164e+00 1.53898070563309e+01  1.40348682619557e-13
2.75955511022044e+00 1.57928153229893e+01  9.04993421406324e-14
2.78540480961924e+00 1.62063770463870e+01  5.76954254271925e-14
2.81125450901804e+00 1.66307685867338e+01  3.63602181956777e-14
2.83710420841683e+00 1.70662735412016e+01  2.26477762887551e-14
2.86295390781563e+00 1.75131829334366e+01  1.39398409785080e-14
2.88880360721443e+00 1.79717954080336e+01  8.47689071160349e-15
2.91465330661323e+00 1.84424174301045e+01  5.09177538705453e-15
2.94050300601202e+00 1.89253634900708e+01  3.02034882919022e-15
2.96635270541082e+00 1.94209563138207e+01  1.76886793203224e-15
2.99220240480962e+00 1.99295270783685e+01  1.02252344415159e-15
3.01805210420842e+00 2.04514156331616e+01  5.83275541917928e-16
3.04390180360721e+00 2.09869707271834e+01  3.28226778309864e-16
3.06975150300601e+00 2.15365502420022e+01  1.82156817217837e-16
3.09560120240481e+00 2.21005214309236e+01  9.96676434900209e-17
3.12145090180361e+00 2.26792611644058e+01  5.37479679976596e-17
3.14730060120240e+00 2.32731561819005e+01  2.85580133064958e-17
3.17315030060120e+00 2.38826033502897e+01  1.49455338765125e-17
3.19900000000000e+00 2.45080099290896e+01  7.70154843389554e-18
density.PCC>