mirror of https://github.com/abinit/abinit.git
2487 lines
147 KiB
Plaintext
2487 lines
147 KiB
Plaintext
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**** DERIVATIVE DATABASE ****
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+DDB, Version number 20230401
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DDB for Quartz, 30.0Ha, 1SP in the IBZ, 022092. Gamma, 0 0 1/4, 1/2 0 1/4.
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usepaw 0
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natom 9
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nkpt 6
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nsppol 1
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nsym 6
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ntypat 2
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occopt 0
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nband 24
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acell 0.90985400000000D+01 0.90985400000000D+01 0.10057300000000D+02
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amu 0.28085500000000D+02 0.15999400000000D+02
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dilatmx 0.10000000000000D+01
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ecut 0.30000000000000D+02
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ecutsm 0.00000000000000D+00
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intxc 1
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iscf 1
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ixc 5
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kpt 0.33333333333333D+00 0.00000000000000D+00 0.25000000000000D+00
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-0.33333333333333D+00 0.33333333333333D+00 0.25000000000000D+00
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0.00000000000000D+00 -0.33333333333333D+00 0.25000000000000D+00
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0.00000000000000D+00 0.33333333333333D+00 -0.25000000000000D+00
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-0.33333333333333D+00 0.00000000000000D+00 -0.25000000000000D+00
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0.33333333333333D+00 -0.33333333333333D+00 -0.25000000000000D+00
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kptnrm 0.12000000000000D+02
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ngfft 48 48 60
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nspden 0
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nspinor 0
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occ 0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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rprim 0.10000000000000D+01 0.00000000000000D+00 0.00000000000000D+00
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-0.50000000000000D+00 0.86602540378444D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.10000000000000D+01
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dfpt_sciss 0.00000000000000D+00
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spinat 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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symafm 1 1 1 1 1 1
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symrel 1 0 0 0 1 0 0 0 1
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0 1 0 -1 -1 0 0 0 1
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-1 -1 0 1 0 0 0 0 1
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0 1 0 1 0 0 0 0 -1
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-1 -1 0 0 1 0 0 0 -1
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1 0 0 -1 -1 0 0 0 -1
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tnons 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.66666666666667D+00
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0.00000000000000D+00 0.00000000000000D+00 0.33333333333333D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.66666666666667D+00
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0.00000000000000D+00 0.00000000000000D+00 0.33333333333333D+00
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tolwfr 0.10000000000000D-09
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tphysel 0.00000000000000D+00
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tsmear 0.00000000000000D+00
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typat 1 1 1 2 2 2 2 2 2
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wtk 0.16666666666667D+00 0.16666666666667D+00 0.16666666666667D+00
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0.16666666666667D+00 0.16666666666667D+00 0.16666666666667D+00
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xred 0.46139123900000D+00 -0.40275235251000D-19 0.16666666670000D+00
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-0.34166190059000D-15 0.46139123900000D+00 0.83333333330000D+00
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0.53860876100000D+00 0.53860876100000D+00 0.50000000000000D+00
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0.40977306800000D+00 0.28152094230000D+00 0.27472374100000D+00
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0.71847905770000D+00 0.12825212570000D+00 0.94139040760000D+00
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0.87174787430000D+00 0.59022693200000D+00 0.60805707430000D+00
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0.28152094230000D+00 0.40977306800000D+00 0.72527625900000D+00
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0.12825212570000D+00 0.71847905770000D+00 0.58609592366000D-01
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0.59022693200000D+00 0.87174787430000D+00 0.39194292570000D+00
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znucl 0.00000000000000D+00 0.00000000000000D+00
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zion 0.40000000000000D+01 0.60000000000000D+01
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Description of the potentials (KB energies)
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vrsio8 (for pseudopotentials)=100401
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usepaw = 0
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dimekb = 6 lmnmax= 6
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Atom type= 1 pspso= 0 nekb= 6
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iln lpsang iproj ekb(:)
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1 0 1 3.7736769E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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2 0 2 0.0000000E+00 1.0247662E+01 0.0000000E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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3 1 1 0.0000000E+00 0.0000000E+00 2.1663282E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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4 1 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 2.0553929E+00
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0.0000000E+00 0.0000000E+00
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5 2 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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6 2 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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Atom type= 2 pspso= 0 nekb= 6
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iln lpsang iproj ekb(:)
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1 0 1 5.7633608E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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2 0 2 0.0000000E+00 -1.7984213E+00 0.0000000E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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3 1 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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4 1 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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5 2 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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6 2 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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**** Database of total energy derivatives ****
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Number of data blocks= 3
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2nd derivatives (non-stat.) - # elements : 900
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qpt 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
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1 1 1 1 0.35853444863350D+02 0.00000000000000D+00
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2 1 1 1 -0.17926722353142D+02 0.26110844475161D+00
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3 1 1 1 0.12597420195087D-05 -0.21734939304592D+00
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1 2 1 1 -0.18604611331233D+01 -0.37491446877475D-01
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2 2 1 1 -0.33676136830923D+01 0.43916923465684D-01
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3 2 1 1 -0.90837738834682D+00 0.10457917521107D-01
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1 3 1 1 -0.18604604466530D+01 0.37492967817052D-01
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2 3 1 1 0.52280759610191D+01 0.64225299375313D-02
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3 3 1 1 0.90837757668157D+00 0.10462729979034D-01
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1 4 1 1 -0.83563677469628D+01 0.14143364527136D+00
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2 4 1 1 0.10434366339417D+02 -0.21461126600688D+00
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3 4 1 1 0.41274594749141D+01 0.40139897374544D+00
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1 5 1 1 -0.78014902399811D+01 0.15477314020280D+00
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2 5 1 1 0.16844508204056D+01 0.43850674091965D-01
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3 5 1 1 0.89161398482873D+01 -0.61328011049966D+00
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1 6 1 1 0.91330079870244D-01 -0.27625330472299D-01
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2 6 1 1 0.37593787788000D+00 0.19273088175792D-01
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3 6 1 1 -0.71278154716212D+00 0.71532545133442D-01
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1 7 1 1 0.91332775904974D-01 0.27627955478462D-01
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2 7 1 1 -0.46729841256507D+00 -0.83632555128274D-02
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3 7 1 1 0.71277934838661D+00 0.71542167149118D-01
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1 8 1 1 -0.83563719653312D+01 -0.14142796098862D+00
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2 8 1 1 -0.20779950693984D+01 -0.73191301425107D-01
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3 8 1 1 -0.41274643370542D+01 0.40139554695742D+00
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1 9 1 1 -0.78014927406820D+01 -0.15477621709717D+00
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2 9 1 1 0.61170421801675D+01 0.19861245424478D+00
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3 9 1 1 -0.89161438731468D+01 -0.61327676748057D+00
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1 11 1 1 -0.61763549643083D+01 -0.51111156307505D-01
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2 11 1 1 0.69626847483477D-06 -0.10222731553103D+00
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3 11 1 1 0.16181661911120D-04 -0.25902828573816D+00
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1 1 2 1 -0.17926722353142D+02 -0.26110844475161D+00
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2 1 2 1 0.38005303491161D+02 0.00000000000000D+00
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3 1 2 1 0.17049502707897D+01 0.10866959157804D+00
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1 2 2 1 -0.75758368727120D+00 0.61796875088434D-01
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2 2 2 1 -0.18604605020145D+01 -0.37490959086204D-01
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3 2 2 1 -0.10423579380233D+01 -0.29183161702308D-01
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1 3 2 1 0.26180446019989D+01 0.24304297341493D-01
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2 3 2 1 -0.78461204439472D+01 -0.30728160054437D-01
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3 3 2 1 -0.19507351538995D+01 0.18721027125730D-01
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1 4 2 1 0.11017911002090D+02 -0.22620555418341D-01
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2 4 2 1 -0.17044052112556D+02 0.15688956663558D+00
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3 4 2 1 -0.65774278721263D+01 -0.65002223358733D+00
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1 5 2 1 0.10788891504137D+01 -0.64566255750418D-02
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2 5 2 1 -0.20668857753902D+01 -0.23229966334322D+00
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3 5 2 1 -0.34133373036099D+00 0.74843561501963D-01
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1 6 2 1 0.76917014557884D+00 -0.50336820703972D-01
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2 6 2 1 0.31441924532531D+00 -0.21488992700130D-01
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3 6 2 1 0.13975666914759D+01 0.63461388311704D-01
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1 7 2 1 -0.86050405810796D+00 -0.77965698860118D-01
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2 7 2 1 0.15508682244982D+01 0.80187385407792D-01
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3 7 2 1 0.68478211542948D+00 -0.13499997139052D+00
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1 8 2 1 -0.26615358603553D+01 0.11882535877503D+00
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2 8 2 1 -0.39481491540568D+01 -0.61099416294601D-01
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3 8 2 1 -0.24499655160502D+01 0.24862717930094D+00
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1 9 2 1 0.67226021475196D+01 0.14831448484187D+00
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2 9 2 1 -0.71050373745267D+01 0.40156982787085D-01
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3 9 2 1 0.85748074365874D+01 0.53843735586481D+00
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1 11 2 1 0.19386006591408D+01 0.28054851023829D-01
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2 11 2 1 -0.22991540535667D+01 0.51115493534823D-01
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3 11 2 1 0.13860224971550D+01 0.12951451267665D+00
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1 1 3 1 0.12597420195087D-05 0.21734939304592D+00
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2 1 3 1 0.17049502707897D+01 -0.10866959157804D+00
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3 1 3 1 0.49218496631063D+02 0.00000000000000D+00
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1 2 3 1 0.10423578708177D+01 0.29183526312157D-01
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2 2 3 1 0.90837497703826D+00 -0.10464099684621D-01
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3 2 3 1 -0.67317245702449D+01 -0.16094118288494D-01
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1 3 3 1 -0.10423576002599D+01 0.29186116006691D-01
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2 3 3 1 0.19507340302221D+01 -0.18725595041411D-01
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3 3 3 1 -0.67317250674811D+01 0.16096983225757D-01
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1 4 3 1 0.49379325519816D+01 0.65746663741091D-01
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2 4 3 1 -0.82646675163926D+01 0.11137441297237D+00
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3 4 3 1 -0.64562762383822D+01 -0.48499465126680D+00
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1 5 3 1 0.88401941348326D+01 -0.29892762136547D-01
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2 5 3 1 -0.15544806992815D+00 0.11780184838040D-01
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3 5 3 1 -0.14673295671669D+02 0.19982813722148D+00
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1 6 3 1 0.12428817440676D+01 0.64394374283682D-01
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2 6 3 1 -0.13723822357865D+01 -0.62113455408020D-01
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3 6 3 1 0.32518115702504D+01 0.40130852761737D+00
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1 7 3 1 -0.12428797588753D+01 0.64396061407432D-01
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2 7 3 1 -0.12961278002529D+00 -0.22898215046008D-02
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3 7 3 1 0.32518128905483D+01 -0.40129897499711D+00
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1 8 3 1 -0.49379280230778D+01 0.65766365988288D-01
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2 8 3 1 -0.33267319786242D+01 -0.17711859334581D+00
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3 8 3 1 -0.64562779672372D+01 0.48498069626350D+00
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1 9 3 1 -0.88402015985563D+01 -0.29911815412248D-01
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2 9 3 1 0.86847454138180D+01 0.18123139947109D-01
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3 9 3 1 -0.14673303071555D+02 -0.19980708873701D+00
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1 11 3 1 -0.12984143275383D+01 0.54768021620459D-01
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2 11 3 1 -0.25968282056339D+01 -0.11473709878760D-05
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3 11 3 1 -0.34366588366557D+01 0.21175702956118D-05
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1 1 1 2 -0.18604611331233D+01 0.37491446877475D-01
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2 1 1 2 -0.75758368727120D+00 -0.61796875088434D-01
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3 1 1 2 0.10423578708177D+01 -0.29183526312157D-01
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1 2 1 2 0.38005303758774D+02 0.00000000000000D+00
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2 2 1 2 -0.17926722303733D+02 0.26110910266580D+00
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3 2 1 2 -0.17049503713691D+01 0.10866671597301D+00
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1 3 1 2 -0.78461225268566D+01 0.30729517086115D-01
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2 3 1 2 0.26180459613232D+01 -0.24304255620059D-01
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3 3 1 2 0.19507331776229D+01 0.18717285547005D-01
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1 4 1 2 0.15508642132290D+01 -0.80184233978595D-01
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2 4 1 2 -0.86050726496652D+00 0.77962749764819D-01
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3 4 1 2 -0.68478104862068D+00 -0.13499988033702D+00
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1 5 1 2 -0.39481550280980D+01 0.61099937919794D-01
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2 5 1 2 -0.26615429913020D+01 -0.11882100065273D+00
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3 5 1 2 0.24499691265316D+01 0.24864049550913D+00
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1 6 1 2 -0.71050438129938D+01 -0.40162707620071D-01
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2 6 1 2 0.67225808029429D+01 -0.14831375193111D+00
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3 6 1 2 -0.85748021300053D+01 0.53843055337248D+00
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1 7 1 2 -0.17044052183219D+02 -0.15689181134242D+00
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2 7 1 2 0.11017899059039D+02 0.22605926852373D-01
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3 7 1 2 0.65774336767056D+01 -0.65003887470311D+00
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1 8 1 2 -0.20668804178067D+01 0.23231550564773D+00
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2 8 1 2 0.10788820036136D+01 0.64578753027663D-02
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3 8 1 2 0.34133735397200D+00 0.74832383914389D-01
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1 9 1 2 0.31439439393674D+00 0.21490348733039D-01
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2 9 1 2 0.76917885465473D+00 0.50337559036023D-01
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3 9 1 2 -0.13975617524777D+01 0.63467008627891D-01
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1 11 1 2 -0.22991552823811D+01 -0.51111110880206D-01
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2 11 1 2 0.19385939017659D+01 -0.28056669857026D-01
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3 11 1 2 -0.13860245199544D+01 0.12951727517431D+00
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1 1 2 2 -0.33676136830923D+01 -0.43916923465684D-01
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2 1 2 2 -0.18604605020145D+01 0.37490959086204D-01
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3 1 2 2 0.90837497703826D+00 0.10464099684621D-01
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1 2 2 2 -0.17926722303733D+02 -0.26110910266580D+00
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2 2 2 2 0.35853440418773D+02 0.00000000000000D+00
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3 2 2 2 0.56094425763654D-07 -0.21733573891738D+00
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1 3 2 2 0.52280758077029D+01 -0.64240787689916D-02
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2 3 2 2 -0.18604623100236D+01 -0.37492248452009D-01
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3 3 2 2 -0.90837519399501D+00 0.10465604273548D-01
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1 4 2 2 -0.46728653172880D+00 0.83569585456403D-02
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2 4 2 2 0.91321186314871D-01 -0.27626706578238D-01
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3 4 2 2 -0.71277875469621D+00 0.71530440480186D-01
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1 5 2 2 -0.20779943626077D+01 0.73203186164341D-01
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2 5 2 2 -0.83563672935824D+01 0.14142656327169D+00
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3 5 2 2 0.41274603905045D+01 0.40141603049987D+00
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1 6 2 2 0.61170471435364D+01 -0.19861508674490D+00
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2 6 2 2 -0.78014187070510D+01 0.15477788374017D+00
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3 6 2 2 0.89161408786295D+01 -0.61326114310160D+00
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1 7 2 2 0.10434351984465D+02 0.21461628998004D+00
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2 7 2 2 -0.83563507819649D+01 -0.14142567211165D+00
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3 7 2 2 -0.41274659307639D+01 0.40140362147231D+00
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1 8 2 2 0.16844448134162D+01 -0.43850315383686D-01
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2 8 2 2 -0.78014882879188D+01 -0.15477855761743D+00
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3 8 2 2 -0.89161423373664D+01 -0.61325316133573D+00
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1 9 2 2 0.37597035865797D+00 -0.19271900653296D-01
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2 9 2 2 0.91323123876805D-01 0.27622584356261D-01
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3 9 2 2 0.71277526680712D+00 0.71531872500337D-01
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2 4 2 11 -0.51764246082630D+02 -0.30778204709553D-01
|
|
3 4 2 11 -0.54448363257766D+01 0.23957467159897D+00
|
|
1 5 2 11 -0.39499976091570D+01 -0.20230605606255D+00
|
|
2 5 2 11 -0.47533932191357D+02 0.25773577510249D-01
|
|
3 5 2 11 0.47937151070787D+01 -0.70588347257038D+00
|
|
1 6 2 11 0.28031642615701D+00 -0.14576406348038D+00
|
|
2 6 2 11 -0.44703263731555D+02 -0.15646069411831D-01
|
|
3 6 2 11 0.65111745234833D+00 0.46631527988361D+00
|
|
1 7 2 11 -0.28031776295606D+00 -0.14575074639229D+00
|
|
2 7 2 11 -0.44422965415915D+02 0.16140775880199D+00
|
|
3 7 2 11 0.65111860548491D+00 -0.46630032663283D+00
|
|
1 8 2 11 -0.31109622014556D+01 -0.18718081450440D+00
|
|
2 8 2 11 -0.48653280709156D+02 0.21795971678622D+00
|
|
3 8 2 11 -0.54448352177305D+01 -0.23957269530074D+00
|
|
1 9 2 11 0.39499996244372D+01 -0.20231724951483D+00
|
|
2 9 2 11 -0.51483930336364D+02 0.17654588222928D+00
|
|
3 9 2 11 0.47937153044413D+01 0.70588540581840D+00
|
|
1 11 2 11 -0.27850888417429D+02 -0.87338257522912D-01
|
|
2 11 2 11 -0.55701778866981D+02 0.00000000000000D+00
|
|
3 11 2 11 -0.12385499801543D-05 0.69773346980239D-06
|
|
1 1 3 11 0.16181661911120D-04 0.25902828573816D+00
|
|
2 1 3 11 0.13860224971550D+01 -0.12951451267665D+00
|
|
3 1 3 11 -0.34366588366557D+01 -0.21175702956118D-05
|
|
1 2 3 11 -0.13860245199544D+01 -0.12951727517431D+00
|
|
2 2 3 11 -0.14502519004486D-04 0.25903352189200D+00
|
|
3 2 3 11 -0.34366602864498D+01 0.23512471195908D-06
|
|
1 3 3 11 0.13860241572311D+01 -0.12951361622312D+00
|
|
2 3 3 11 -0.13860223171932D+01 -0.12951665898481D+00
|
|
3 3 3 11 -0.34366391117404D+01 0.67402833955071D-05
|
|
1 4 3 11 0.12631157376603D+01 -0.25816435934788D+01
|
|
2 4 3 11 -0.41681032462042D+01 0.22836619872474D+01
|
|
3 4 3 11 -0.48509609309710D+02 -0.85537833800359D+00
|
|
1 5 3 11 0.29049910281671D+01 0.29798591423421D+00
|
|
2 5 3 11 0.12631091998318D+01 -0.25816281265347D+01
|
|
3 5 3 11 -0.48509635601614D+02 -0.85538528132021D+00
|
|
1 6 3 11 -0.41681046490019D+01 0.22836680381794D+01
|
|
2 6 3 11 0.29049869360881D+01 0.29797553187107D+00
|
|
3 6 3 11 -0.48509612734540D+02 -0.85540044326219D+00
|
|
1 7 3 11 0.41681021756234D+01 0.22836376236461D+01
|
|
2 7 3 11 -0.12631154248123D+01 -0.25816205388250D+01
|
|
3 7 3 11 -0.48509619084340D+02 0.85538438946615D+00
|
|
1 8 3 11 -0.12631075165015D+01 -0.25816416319979D+01
|
|
2 8 3 11 -0.29049958019445D+01 0.29797083118366D+00
|
|
3 8 3 11 -0.48509629705456D+02 0.85540111497047D+00
|
|
1 9 3 11 -0.29049869792923D+01 0.29798341416821D+00
|
|
2 9 3 11 0.41681047933478D+01 0.22836608897851D+01
|
|
3 9 3 11 -0.48509607847830D+02 0.85538530978493D+00
|
|
1 11 3 11 0.42811492684144D-05 -0.16564700994579D-05
|
|
2 11 3 11 -0.12385499801543D-05 -0.69773346980239D-06
|
|
3 11 3 11 -0.35071765796135D+02 0.00000000000000D+00
|
|
|
|
2nd derivatives (non-stat.) - # elements : 729
|
|
qpt 0.00000000E+00 0.00000000E+00 2.50000000E-01 1.0
|
|
1 1 1 1 0.35727329471931D+02 0.13878853365780D-20
|
|
2 1 1 1 -0.17863618230516D+02 -0.10732971953003D+00
|
|
3 1 1 1 0.22344891364188D-06 0.85065831969264D-01
|
|
1 2 1 1 0.28295317865486D+00 -0.21413277551679D+01
|
|
2 2 1 1 -0.44897718574548D+00 -0.29270810604744D+01
|
|
3 2 1 1 0.11403086505901D+00 -0.10206279224192D+01
|
|
1 3 1 1 -0.21413272088759D+01 0.28295378147157D+00
|
|
2 3 1 1 0.50683538428645D+01 0.16602266863873D+00
|
|
3 3 1 1 0.10206083011235D+01 -0.11402544167610D+00
|
|
1 4 1 1 -0.83098024371218D+01 -0.16158148646748D-01
|
|
2 4 1 1 0.10376481139310D+02 0.43539880698465D-01
|
|
3 4 1 1 0.40048019063203D+01 0.10708029399095D+00
|
|
1 5 1 1 -0.43279311034115D-01 -0.77440713599780D+01
|
|
2 5 1 1 0.10231457382285D+00 0.15575651989336D+01
|
|
3 5 1 1 0.91397119947846D-01 0.88270030149246D+01
|
|
1 6 1 1 -0.20327924082919D+00 0.29471581557435D+00
|
|
2 6 1 1 -0.96589851751834D-01 0.47091251678883D+00
|
|
3 6 1 1 -0.75439576396167D+00 0.48742929557955D-01
|
|
1 7 1 1 0.29471283034371D+00 -0.20327908893946D+00
|
|
2 7 1 1 -0.76563066545332D+00 0.29986749699786D+00
|
|
3 7 1 1 -0.43382015560343D-01 0.74908492608336D+00
|
|
1 8 1 1 -0.83098020640715D+01 0.16158695980995D-01
|
|
2 8 1 1 -0.20666774544911D+01 0.27380319849977D-01
|
|
3 8 1 1 -0.40048032024043D+01 0.10708113342030D+00
|
|
1 9 1 1 -0.77440728335962D+01 -0.43278360498904D-01
|
|
2 9 1 1 0.61865062495049D+01 -0.59036044920669D-01
|
|
3 9 1 1 -0.88270039176029D+01 -0.91397583769086D-01
|
|
1 1 2 1 -0.17863618230516D+02 0.10732971953003D+00
|
|
2 1 2 1 0.38069987942272D+02 0.21501020997552D-21
|
|
3 1 2 1 0.21625520164873D+01 -0.42532507008650D-01
|
|
1 2 2 1 -0.90574590836144D-01 -0.69339561476638D+00
|
|
2 2 2 1 0.28295602532537D+00 -0.21413213329380D+01
|
|
3 2 2 1 -0.26088617767824D-01 -0.48745269540647D+00
|
|
1 3 2 1 0.28347152796168D+01 -0.19238174167787D+00
|
|
2 3 2 1 -0.79030084613326D+01 0.26362428055164D-01
|
|
3 3 2 1 -0.15080086410426D+01 0.87938972152222D-01
|
|
1 4 2 1 0.10998569541529D+02 0.39588602130460D-02
|
|
2 4 2 1 -0.17133296207426D+02 0.10226325250275D-01
|
|
3 4 2 1 -0.68502791023102D+01 0.19315392580511D-01
|
|
1 5 2 1 0.31609825197595D-01 0.11148760730172D+01
|
|
2 5 2 1 -0.94845863228620D-01 -0.19455816830389D+01
|
|
3 5 2 1 -0.13329042548407D+00 -0.45964597633045D+00
|
|
1 6 2 1 0.44762947557912D+00 0.22166313447627D+00
|
|
2 6 2 1 0.41163663581800D+00 -0.27506204178039D-01
|
|
3 6 2 1 0.66875705224936D+00 0.46076773707616D+00
|
|
1 7 2 1 -0.51637843406918D+00 -0.24434985498006D+00
|
|
2 7 2 1 0.95979261558201D+00 0.55939682768597D+00
|
|
3 7 2 1 0.51619640666684D+00 -0.90243446137060D-01
|
|
1 8 2 1 -0.26887485634155D+01 -0.12197882458791D-01
|
|
2 8 2 1 -0.40680542817993D+01 -0.41564339792208D-01
|
|
3 8 2 1 -0.28455132844201D+01 -0.12639531885823D+00
|
|
1 9 2 1 0.66292101691611D+01 0.11665979764645D-01
|
|
2 9 2 1 -0.70171955367474D+01 -0.41931328306781D-02
|
|
3 9 2 1 0.83674064200502D+01 -0.41894147747236D-01
|
|
1 1 3 1 0.22344891364188D-06 -0.85065831969264D-01
|
|
2 1 3 1 0.21625520164873D+01 0.42532507008650D-01
|
|
3 1 3 1 0.57502279005634D+02 -0.23215749654052D-19
|
|
1 2 3 1 0.26085952915595D-01 0.48746404927545D+00
|
|
2 2 3 1 -0.11402551924891D+00 0.10206080324606D+01
|
|
3 2 3 1 0.58209769692198D-01 0.13968562450310D+01
|
|
1 3 3 1 -0.48746387066197D+00 -0.26086093044802D-01
|
|
2 3 3 1 0.15080094906150D+01 -0.87939556932183D-01
|
|
3 3 3 1 0.13968288084791D+01 0.58191198866161D-01
|
|
1 4 3 1 0.54110801031257D+01 0.26621139897210D-01
|
|
2 4 3 1 -0.97877213184974D+01 -0.61622097478955D-01
|
|
3 4 3 1 -0.10473741404140D+02 -0.67589752651706D-01
|
|
1 5 3 1 0.93454122253999D-02 0.99201794176579D+01
|
|
2 5 3 1 0.45473140423539D-01 0.29410000752024D+00
|
|
3 5 3 1 0.57381570408509D-01 -0.18835504014272D+02
|
|
1 6 3 1 -0.92470485325251D-01 -0.23629596511479D+00
|
|
2 6 3 1 -0.14449090869743D+00 -0.13327698033427D+00
|
|
3 6 3 1 -0.52808767287578D+00 -0.32408041280487D+00
|
|
1 7 3 1 0.23629527104349D+00 0.92473803186657D-01
|
|
2 7 3 1 -0.36956921558638D+00 -0.23696211406409D+00
|
|
3 7 3 1 -0.31834500360771D+00 -0.52458582450345D+00
|
|
1 8 3 1 -0.54110730594237D+01 0.26622136843459D-01
|
|
2 8 3 1 -0.43766520676958D+01 0.35001092269527D-01
|
|
3 8 3 1 -0.10473740550198D+02 0.67590657627048D-01
|
|
1 9 3 1 -0.99201833722135D+01 -0.93424077864041D-02
|
|
2 9 3 1 0.10214287443289D+02 0.54811663798806D-01
|
|
3 9 3 1 -0.18835505261471D+02 0.57382877488424D-01
|
|
1 1 1 2 0.28295317865486D+00 0.21413277551679D+01
|
|
2 1 1 2 -0.90574590836144D-01 0.69339561476638D+00
|
|
3 1 1 2 0.26085952915595D-01 -0.48746404927545D+00
|
|
1 2 1 2 0.38070134522642D+02 0.13878853365780D-20
|
|
2 2 1 2 -0.17863663844013D+02 -0.10732994314330D+00
|
|
3 2 1 2 -0.21624858651388D+01 -0.42531705296330D-01
|
|
1 3 1 2 -0.79031272253768D+01 -0.26355100814983D-01
|
|
2 3 1 2 0.28347146467444D+01 0.19238100984203D+00
|
|
3 3 1 2 0.15080729420595D+01 0.87938828933861D-01
|
|
1 4 1 2 0.95977610077490D+00 -0.55939469405773D+00
|
|
2 4 1 2 -0.51636980184234D+00 0.24434471397680D+00
|
|
3 4 1 2 -0.51614024154520D+00 -0.90270043773663D-01
|
|
1 5 1 2 -0.40680574899004D+01 0.41570239761326D-01
|
|
2 5 1 2 -0.26887342863445D+01 0.12196266575364D-01
|
|
3 5 1 2 0.28455832467128D+01 -0.12639474457552D+00
|
|
1 6 1 2 -0.70172054766050D+01 0.41987095674471D-02
|
|
2 6 1 2 0.66291981626952D+01 -0.11663113614195D-01
|
|
3 6 1 2 -0.83642499210936D+01 -0.13440289545568D+00
|
|
1 7 1 2 -0.17133274312580D+02 -0.10226335861302D-01
|
|
2 7 1 2 0.10998538221182D+02 -0.39663781749621D-02
|
|
3 7 1 2 0.68503817694019D+01 0.19314061061047D-01
|
|
1 8 1 2 -0.94846166055942D-01 0.19455694671904D+01
|
|
2 8 1 2 0.31611175157871D-01 -0.11148684134356D+01
|
|
3 8 1 2 0.13329992047840D+00 -0.45970016079684D+00
|
|
1 9 1 2 0.41163505245793D+00 0.27506346842783D-01
|
|
2 9 1 2 0.44762712017759D+00 -0.22165867256415D+00
|
|
3 9 1 2 -0.65881641357222D+00 0.47275640188224D+00
|
|
1 1 2 2 -0.44897718574548D+00 0.29270810604744D+01
|
|
2 1 2 2 0.28295602532537D+00 0.21413213329380D+01
|
|
3 1 2 2 -0.11402551924891D+00 -0.10206080324606D+01
|
|
1 2 2 2 -0.17863663844013D+02 0.10732994314330D+00
|
|
2 2 2 2 0.35727329094301D+02 0.21501020997552D-21
|
|
3 2 2 2 -0.33443386888889D-06 0.85063339717040D-01
|
|
1 3 2 2 0.50684079436371D+01 -0.16602388303236D+00
|
|
2 3 2 2 -0.21413194443350D+01 -0.28295656774523D+00
|
|
3 3 2 2 -0.10206094857547D+01 -0.11402557248030D+00
|
|
1 4 2 2 -0.76562831803109D+00 -0.29986332525534D+00
|
|
2 4 2 2 0.29471323757914D+00 0.20328055810179D+00
|
|
3 4 2 2 0.43382077686981D-01 0.74908379763054D+00
|
|
1 5 2 2 -0.20666756135098D+01 -0.27382371495519D-01
|
|
2 5 2 2 -0.83098035079897D+01 -0.16158991334631D-01
|
|
3 5 2 2 0.40048041895860D+01 0.10708075465925D+00
|
|
1 6 2 2 0.61865020891774D+01 0.59034298413748D-01
|
|
2 6 2 2 -0.77440697225836D+01 0.43275237893133D-01
|
|
3 6 2 2 0.87069948915002D+01 0.47474783181350D-01
|
|
1 7 2 2 0.10376483928849D+02 -0.43542188504272D-01
|
|
2 7 2 2 -0.83098064568073D+01 0.16161823912277D-01
|
|
3 7 2 2 -0.40048001645890D+01 0.10708028870521D+00
|
|
1 8 2 2 0.10231417882971D+00 -0.15575655113940D+01
|
|
2 8 2 2 -0.43279096897035D-01 0.77440719475425D+01
|
|
3 8 2 2 -0.91397441180706D-01 0.88270025555239D+01
|
|
1 9 2 2 -0.96588687403635D-01 -0.47091145707801D+00
|
|
2 9 2 2 -0.20327950881902D+00 -0.29471771736592D+00
|
|
3 9 2 2 0.74908429154851D+00 0.43381722056014D-01
|
|
1 1 3 2 0.11403086505901D+00 0.10206279224192D+01
|
|
2 1 3 2 -0.26088617767824D-01 0.48745269540647D+00
|
|
3 1 3 2 0.58209769692198D-01 -0.13968562450310D+01
|
|
1 2 3 2 -0.21624858651388D+01 0.42531705296330D-01
|
|
2 2 3 2 -0.33443386888889D-06 -0.85063339717040D-01
|
|
3 2 3 2 0.57502446849052D+02 -0.23215749654052D-19
|
|
1 3 3 2 -0.15081128308006D+01 -0.87936426875620D-01
|
|
2 3 3 2 0.48745196941411D+00 -0.26089111498281D-01
|
|
3 3 3 2 0.13968578722163D+01 -0.58209653118994D-01
|
|
1 4 3 2 0.36956602329527D+00 -0.23696396721297D+00
|
|
2 4 3 2 -0.23629889972163D+00 0.92478032451691D-01
|
|
3 4 3 2 -0.31830573968044D+00 0.52453137662066D+00
|
|
1 5 3 2 0.43766468297610D+01 0.34996812790987D-01
|
|
2 5 3 2 0.54110872350336D+01 0.26618175511339D-01
|
|
3 5 3 2 -0.10473629750315D+02 -0.67578613899016D-01
|
|
1 6 3 2 -0.10214289986103D+02 0.54806388041779D-01
|
|
2 6 3 2 0.99201740070424D+01 -0.93340093188421D-02
|
|
3 6 3 2 -0.18681852915064D+02 -0.69284469800408D-01
|
|
1 7 3 2 0.97877173136505D+01 -0.61619358256834D-01
|
|
2 7 3 2 -0.54110930302907D+01 0.26617709256098D-01
|
|
3 7 3 2 -0.10473632766302D+02 0.67578661953009D-01
|
|
1 8 3 2 -0.45467606118705D-01 0.29411457023757D+00
|
|
2 8 3 2 -0.93402636398467D-02 0.99201754048264D+01
|
|
3 8 3 2 0.57395579995144D-01 0.18835395694966D+02
|
|
1 9 3 2 0.14448768345136D+00 -0.13326887501307D+00
|
|
2 9 3 2 0.92478236822144D-01 -0.23630383522114D+00
|
|
3 9 3 2 -0.52453130824888D+00 0.31830485254083D+00
|
|
1 1 1 3 -0.21413272088759D+01 -0.28295378147157D+00
|
|
2 1 1 3 0.28347152796168D+01 0.19238174167787D+00
|
|
3 1 1 3 -0.48746387066197D+00 0.26086093044802D-01
|
|
1 2 1 3 -0.79031272253768D+01 0.26355100814983D-01
|
|
2 2 1 3 0.50684079436371D+01 0.16602388303236D+00
|
|
3 2 1 3 -0.15081128308006D+01 0.87936426875620D-01
|
|
1 3 1 3 0.38070134473340D+02 0.13365723220664D-20
|
|
2 3 1 3 -0.20206442853793D+02 -0.10732997837688D+00
|
|
3 3 1 3 0.21625186061399D+01 -0.42533234890053D-01
|
|
1 4 1 3 -0.19455705059811D+01 0.94846753566992D-01
|
|
2 4 1 3 0.83069899448567D+00 -0.63232857878778D-01
|
|
3 4 1 3 -0.45969880702690D+00 0.13330027392574D+00
|
|
1 5 1 3 0.41163180209592D+00 -0.27507088833403D-01
|
|
2 5 1 3 -0.85925825074975D+00 -0.19414893192706D+00
|
|
3 5 1 3 0.65881692989490D+00 0.47275651688624D+00
|
|
1 6 1 3 -0.17133273409569D+02 0.10227518340224D-01
|
|
2 6 1 3 0.61347364053375D+01 -0.14194151297451D-01
|
|
3 6 1 3 -0.68404662121431D+01 0.16163743720360D-01
|
|
1 7 1 3 -0.70172028994145D+01 -0.42028865602973D-02
|
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2 1 1 9 0.66292101691611D+01 -0.11665979764645D-01
|
|
3 1 1 9 -0.99201833722135D+01 0.93424077864041D-02
|
|
1 2 1 9 0.41163505245793D+00 -0.27506346842783D-01
|
|
2 2 1 9 -0.96588687403635D-01 0.47091145707801D+00
|
|
3 2 1 9 0.14448768345136D+00 0.13326887501307D+00
|
|
1 3 1 9 -0.40680591113347D+01 0.41567767800370D-01
|
|
2 3 1 9 0.61347224982686D+01 -0.14186761418794D-01
|
|
3 3 1 9 -0.43766443080872D+01 -0.35003088093374D-01
|
|
1 4 1 9 -0.12809639664775D+01 -0.24291591112454D-01
|
|
2 4 1 9 0.34046914743365D+01 0.46641376035196D-02
|
|
3 4 1 9 0.44599205070249D+00 -0.18829429115351D-01
|
|
1 5 1 9 0.66281119337582D-01 0.16297073249319D+00
|
|
2 5 1 9 0.34253837607546D-01 -0.24958103549114D+00
|
|
3 5 1 9 -0.11214414604793D+00 0.35550877089694D+00
|
|
1 6 1 9 -0.17246546202388D+01 -0.82766707011939D-01
|
|
2 6 1 9 0.19169472702585D+01 -0.20820928979110D-01
|
|
3 6 1 9 -0.10645232239427D+01 -0.96532420039592D-01
|
|
1 7 1 9 -0.97463142754739D-02 0.36819234071190D-01
|
|
2 7 1 9 -0.10654933826493D+00 -0.49741206713547D-01
|
|
3 7 1 9 0.56386912883211D+00 0.21282034310383D-01
|
|
1 8 1 9 -0.10359596491529D+01 0.47523169644006D-01
|
|
2 8 1 9 0.11629338125799D+00 -0.12923038520183D-01
|
|
3 8 1 9 -0.14748428499574D+01 0.64078634591227D-02
|
|
1 9 1 9 0.15292600719385D+02 0.31227420073005D-20
|
|
2 9 1 9 -0.18151906310830D+02 -0.42418374497056D-02
|
|
3 9 1 9 0.15424040531309D+02 0.27169747592849D-01
|
|
1 1 2 9 0.61865062495049D+01 0.59036044920669D-01
|
|
2 1 2 9 -0.70171955367474D+01 0.41931328306781D-02
|
|
3 1 2 9 0.10214287443289D+02 -0.54811663798806D-01
|
|
1 2 2 9 0.44762712017759D+00 0.22165867256415D+00
|
|
2 2 2 9 -0.20327950881902D+00 0.29471771736592D+00
|
|
3 2 2 9 0.92478236822144D-01 0.23630383522114D+00
|
|
1 3 2 9 0.67567909491023D+01 -0.53767373532517D-01
|
|
2 3 2 9 -0.17133290875405D+02 0.10228650709750D-01
|
|
3 3 2 9 0.97877359371965D+01 0.61629871603976D-01
|
|
1 4 2 9 0.32667914387315D+01 -0.77256763514770D-02
|
|
2 4 2 9 -0.66714748140131D+01 0.30621275467407D-02
|
|
3 4 2 9 -0.10837125008901D+01 -0.22583768157926D-01
|
|
1 5 2 9 -0.10053628273196D+00 0.86610586900703D-01
|
|
2 5 2 9 -0.37451690562169D-01 -0.46551076361805D+00
|
|
3 5 2 9 -0.11056450395948D+00 0.10915724094365D+01
|
|
1 6 2 9 0.14187835773864D+01 0.14327160125215D-01
|
|
2 6 2 9 -0.17246565668330D+01 -0.82766783434570D-01
|
|
3 6 2 9 0.63613194427045D+00 -0.60283323369165D-02
|
|
1 7 2 9 -0.21992362678459D+00 -0.20635525692023D-01
|
|
2 7 2 9 -0.69974271866136D+00 -0.13964748424418D-01
|
|
3 7 2 9 0.65667684685214D+00 -0.98422652588909D-01
|
|
1 8 2 9 0.22966800696508D+00 0.16181195164888D-01
|
|
2 8 2 9 -0.97499628114264D-02 -0.36816427236488D-01
|
|
3 8 2 9 -0.57979935934706D-01 -0.14894486121303D-01
|
|
1 9 2 9 -0.18151906310830D+02 0.42418374497056D-02
|
|
2 9 2 9 0.33675434778647D+02 0.48377297244491D-21
|
|
3 9 2 9 -0.21440877209350D+02 0.22706861244349D-01
|
|
1 1 3 9 -0.88270039176029D+01 0.91397583769086D-01
|
|
2 1 3 9 0.83674064200502D+01 0.41894147747236D-01
|
|
3 1 3 9 -0.18835505261471D+02 -0.57382877488424D-01
|
|
1 2 3 9 -0.65881641357222D+00 -0.47275640188224D+00
|
|
2 2 3 9 0.74908429154851D+00 -0.43381722056014D-01
|
|
3 2 3 9 -0.52453130824888D+00 -0.31830485254083D+00
|
|
1 3 3 9 -0.28455833852544D+01 0.12639491872152D+00
|
|
2 3 3 9 0.68502790119385D+01 -0.19315412940437D-01
|
|
3 3 3 9 -0.10473741033289D+02 -0.67588352267199D-01
|
|
1 4 3 9 -0.63774258351003D+00 -0.41422589388862D-01
|
|
2 4 3 9 0.10837313227573D+01 0.22589760821931D-01
|
|
3 4 3 9 0.29391581311704D+01 0.16056725647055D-01
|
|
1 5 3 9 0.11215653743682D+00 -0.35551073737478D+00
|
|
2 5 3 9 -0.22271208168989D+00 0.14470685348338D+01
|
|
3 5 3 9 -0.23566094779736D+00 -0.13508737726945D+01
|
|
1 6 3 9 -0.58324872255937D+00 -0.21056738539517D-01
|
|
2 6 3 9 0.10524523329306D+01 0.10891821224397D+00
|
|
3 6 3 9 0.88117709919541D+00 -0.10889520559422D+00
|
|
1 7 3 9 -0.57990815703266D-01 0.14898632927860D-01
|
|
2 7 3 9 0.15328302963424D+01 -0.84962917834195D-02
|
|
3 7 3 9 -0.19097858806548D+00 0.18211949708781D+00
|
|
1 8 3 9 -0.12205253148933D+01 -0.77152123826664D-01
|
|
2 8 3 9 0.56385616362029D+00 -0.21282409313581D-01
|
|
3 8 3 9 -0.19096901007580D+00 -0.18211724584683D+00
|
|
1 9 3 9 0.15424040531309D+02 -0.27169747592849D-01
|
|
2 9 3 9 -0.21440877209350D+02 -0.22706861244349D-01
|
|
3 9 3 9 0.28025161046969D+02 -0.52235436721616D-19
|
|
|
|
2nd derivatives (non-stat.) - # elements : 729
|
|
qpt 5.00000000E-01 0.00000000E+00 2.50000000E-01 1.0
|
|
1 1 1 1 0.39496411198487D+02 0.15152812110756D-20
|
|
2 1 1 1 -0.17880586155214D+02 -0.11130429512690D+00
|
|
3 1 1 1 -0.20369535906423D+00 0.38023716376594D+00
|
|
1 2 1 1 0.51868395301724D+00 0.12829075461353D+01
|
|
2 2 1 1 -0.29716141509173D-01 0.13790085484559D+00
|
|
3 2 1 1 0.76730044311338D+00 -0.50585671445495D+01
|
|
1 3 1 1 -0.36850062307612D+00 0.24302991911883D+01
|
|
2 3 1 1 0.54441819199598D+01 -0.26529232546093D+00
|
|
3 3 1 1 0.50730244169889D+00 -0.14812766418432D+00
|
|
1 4 1 1 -0.95352367215348D+01 -0.31091599661523D+00
|
|
2 4 1 1 0.10350680097685D+02 0.37140132539015D-01
|
|
3 4 1 1 0.38656943022275D+01 -0.11928456484603D-01
|
|
1 5 1 1 -0.47916804169919D-01 -0.97141461975273D+01
|
|
2 5 1 1 -0.54818823277728D-01 0.85669469801967D+00
|
|
3 5 1 1 0.42258998719755D+00 0.88502481283224D+01
|
|
1 6 1 1 -0.32247763404537D+00 -0.12562292884786D+01
|
|
2 6 1 1 -0.48796349306416D+00 0.85199575292484D+00
|
|
3 6 1 1 0.16934850075659D+00 -0.18832928614287D+01
|
|
1 7 1 1 -0.24705686349749D+00 -0.20862522226882D+01
|
|
2 7 1 1 -0.82035395154711D+00 0.59345852249284D+00
|
|
3 7 1 1 0.42567990702231D-01 0.18722287151400D+01
|
|
1 8 1 1 -0.99242275290475D+01 0.28529913623816D-01
|
|
2 8 1 1 -0.33009921457170D+01 0.85925877910170D-01
|
|
3 8 1 1 -0.47129903279941D+01 0.17440882260404D+00
|
|
1 9 1 1 -0.87821206250550D+01 -0.38719976780573D+00
|
|
2 9 1 1 0.62495771382556D+01 0.60067023438325D-02
|
|
3 9 1 1 -0.87484997646941D+01 -0.24762460624275D+00
|
|
1 1 2 1 -0.17880586155214D+02 0.11130429512690D+00
|
|
2 1 2 1 0.38780035057822D+02 0.70779487410884D-21
|
|
3 1 2 1 0.16961262802705D+01 -0.22486510576677D-05
|
|
1 2 2 1 0.57762210549892D+00 0.71878742939357D+00
|
|
2 2 2 1 -0.78002799369997D+00 -0.17376004416370D+01
|
|
3 2 2 1 0.33820913541753D+00 -0.26034863116889D+01
|
|
1 3 2 1 0.30150076923521D+01 0.43807111206872D+00
|
|
2 3 2 1 -0.84591892643194D+01 -0.17277923382273D+00
|
|
3 3 2 1 -0.20373761029971D+01 0.52841180968415D-01
|
|
1 4 2 1 0.11005502417621D+02 -0.11115774242323D+00
|
|
2 4 2 1 -0.17159937222750D+02 0.30428631512232D-02
|
|
3 4 2 1 -0.65776455808546D+01 -0.22342890651150D-01
|
|
1 5 2 1 0.90215569033249D-01 0.10855254824180D+01
|
|
2 5 2 1 -0.12675053664195D+00 -0.25906503000974D+01
|
|
3 5 2 1 -0.12077357641421D+00 -0.11009341357183D+00
|
|
1 6 2 1 0.44021959467651D+00 -0.26793540605872D+00
|
|
2 6 2 1 0.46426103565042D+00 -0.71424135523348D-01
|
|
3 6 2 1 0.10518469999075D+01 -0.54116268556504D+00
|
|
1 7 2 1 -0.67058489219506D+00 -0.67828790452285D+00
|
|
2 7 2 1 0.11993771390233D+01 0.61821715524652D+00
|
|
3 7 2 1 0.70250643280179D+00 0.22983301990620D+00
|
|
1 8 2 1 -0.29585251705751D+01 0.96043550784663D-01
|
|
2 8 2 1 -0.42358915528552D+01 -0.11414283373943D+00
|
|
3 8 2 1 -0.25054340678276D+01 0.60121740654735D-01
|
|
1 9 2 1 0.68020112034000D+01 -0.44409856871695D-01
|
|
2 9 2 1 -0.70164107993483D+01 0.17616416956867D-01
|
|
3 9 2 1 0.85850080517254D+01 -0.25805604902403D-01
|
|
1 1 3 1 -0.20369535906423D+00 -0.38023716376594D+00
|
|
2 1 3 1 0.16961262802705D+01 0.22486510576677D-05
|
|
3 1 3 1 0.48969119650967D+02 0.24463510164442D-20
|
|
1 2 3 1 0.24749875055641D+01 -0.36557599657239D+01
|
|
2 2 3 1 -0.51883869190270D+00 -0.35867180537903D+01
|
|
3 2 3 1 0.38296979220565D+00 0.28496001726010D+00
|
|
1 3 3 1 -0.15300734002986D+01 -0.95287008743395D-01
|
|
2 3 3 1 0.20373769742371D+01 -0.52841547094456D-01
|
|
3 3 3 1 -0.56269611535658D+01 -0.63579088819274D+00
|
|
1 4 3 1 0.47864099853338D+01 0.72568686067667D-01
|
|
2 4 3 1 -0.83161314227503D+01 0.18220441203855D-01
|
|
3 4 3 1 -0.63244286758882D+01 0.48764964834391D-01
|
|
1 5 3 1 0.28549223445459D+00 0.86322352634954D+01
|
|
2 5 3 1 0.63330719560589D-01 -0.58872569748688D+00
|
|
3 5 3 1 0.32674027692955D+00 -0.15771970626215D+02
|
|
1 6 3 1 0.22164662328206D+01 -0.43960494613641D+00
|
|
2 6 3 1 -0.79068215823220D+00 -0.40323755441667D+00
|
|
3 6 3 1 0.15892308739500D+01 0.44533841507133D+00
|
|
1 7 3 1 -0.12790478003938D+01 0.11675732103831D+01
|
|
2 7 3 1 -0.40287802346962D-01 -0.12681112691523D-01
|
|
3 7 3 1 0.15809925329477D+01 -0.20794638112511D+00
|
|
1 8 3 1 -0.44024812285089D+01 0.48851093918000D+00
|
|
2 8 3 1 -0.16901632849745D+01 0.14721211071368D-01
|
|
3 8 3 1 -0.55981969715379D+01 0.12340347903561D+00
|
|
1 9 3 1 -0.86420526977816D+01 0.53143735019680D-01
|
|
2 9 3 1 0.87902886097278D+01 0.42278634454589D-01
|
|
3 9 3 1 -0.15015734407702D+02 0.28905773902998D+00
|
|
1 1 1 2 0.51868395301724D+00 -0.12829075461353D+01
|
|
2 1 1 2 0.57762210549892D+00 -0.71878742939357D+00
|
|
3 1 1 2 0.24749875055641D+01 0.36557599657239D+01
|
|
1 2 1 2 0.43249115411113D+02 0.15152812110756D-20
|
|
2 2 1 2 -0.18996239095331D+02 0.53636489525900D+00
|
|
3 2 1 2 -0.11185324388928D+01 -0.78402015725185D-01
|
|
1 3 1 2 -0.40199498574042D+00 0.28656116266699D+00
|
|
2 3 1 2 -0.10188129012463D+01 0.20240528190323D+00
|
|
3 3 1 2 0.72424778224168D+01 0.19561481931287D+01
|
|
1 4 1 2 0.17132409901714D+00 0.19166566302418D+00
|
|
2 4 1 2 -0.11465998561362D+01 -0.22857710128682D+00
|
|
3 4 1 2 -0.24309765148619D+01 -0.14829921958860D+01
|
|
1 5 1 2 0.51582356395215D+01 0.36695709448459D+00
|
|
2 5 1 2 0.29234476164088D+01 0.10168152868367D+00
|
|
3 5 1 2 -0.22579926372933D+01 -0.89585820196311D+00
|
|
1 6 1 2 0.10829682889869D+02 -0.46777776686215D+00
|
|
2 6 1 2 -0.81259742885526D+01 0.18209457316174D+00
|
|
3 6 1 2 0.88777132549238D+01 -0.43102853691525D+00
|
|
1 7 1 2 -0.20563530747431D+02 0.24365618775670D+00
|
|
2 7 1 2 0.12166805853101D+02 -0.11193022635913D+00
|
|
3 7 1 2 0.71155854121506D+01 -0.62000164859452D+00
|
|
1 8 1 2 -0.54232551421673D+00 0.34360091554710D+01
|
|
2 8 1 2 -0.31172939472613D+00 -0.63197025898793D+00
|
|
3 8 1 2 -0.40780601311368D+00 0.12413875118074D+00
|
|
1 9 1 2 -0.48440159505860D+00 -0.97766843702428D-01
|
|
2 9 1 2 0.13522660234780D+01 0.41161117984077D+00
|
|
3 9 1 2 -0.21253509906740D+01 -0.10100230770914D+01
|
|
1 1 2 2 -0.29716141509173D-01 -0.13790085484559D+00
|
|
2 1 2 2 -0.78002799369997D+00 0.17376004416370D+01
|
|
3 1 2 2 -0.51883869190270D+00 0.35867180537903D+01
|
|
1 2 2 2 -0.18996239095331D+02 -0.53636489525900D+00
|
|
2 2 2 2 0.37992479613903D+02 0.70779487410884D-21
|
|
3 2 2 2 -0.11716229341780D-05 0.15680246383060D+00
|
|
1 3 2 2 -0.15997003952580D+01 0.80974425910259D+00
|
|
2 3 2 2 0.17376009413802D+01 -0.78002712119014D+00
|
|
3 3 2 2 -0.35867172148953D+01 0.51883917222113D+00
|
|
1 4 2 2 0.14250981896177D+00 0.67617885420176D+00
|
|
2 4 2 2 0.73498856897315D+00 -0.11236861190326D+01
|
|
3 4 2 2 0.14209531503051D+01 -0.64235927042935D+00
|
|
1 5 2 2 0.32384511359843D+01 -0.23523094920538D+00
|
|
2 5 2 2 0.92433534687800D+01 0.10245219948057D-01
|
|
3 5 2 2 -0.48575933390283D+01 0.27585749338160D+00
|
|
1 6 2 2 -0.80256631264150D+01 -0.38621941606009D+00
|
|
2 6 2 2 0.87579542119428D+01 0.12964151722332D+00
|
|
3 6 2 2 -0.87535745889669D+01 0.23223066864239D-01
|
|
1 7 2 2 0.12481840378959D+02 0.22498493979827D+00
|
|
2 7 2 2 -0.92433515272701D+01 0.10246472851687D-01
|
|
3 7 2 2 -0.48575929385779D+01 -0.27585804567242D+00
|
|
1 8 2 2 0.25662527947685D+00 -0.73237880074493D+00
|
|
2 8 2 2 0.12963489192117D+00 0.87579547981984D+01
|
|
3 8 2 2 -0.23223173298433D-01 0.87535750374712D+01
|
|
1 9 2 2 0.44750018960411D+00 -0.87748518649649D+00
|
|
2 9 2 2 -0.11236910520119D+01 0.73499369325608D+00
|
|
3 9 2 2 0.64235945327337D+00 -0.14209530593803D+01
|
|
1 1 3 2 0.76730044311338D+00 0.50585671445495D+01
|
|
2 1 3 2 0.33820913541753D+00 0.26034863116889D+01
|
|
3 1 3 2 0.38296979220565D+00 -0.28496001726010D+00
|
|
1 2 3 2 -0.11185324388928D+01 0.78402015725185D-01
|
|
2 2 3 2 -0.11716229341780D-05 -0.15680246383060D+00
|
|
3 2 3 2 0.47884576912228D+02 0.24463510164442D-20
|
|
1 3 3 2 0.76620539698466D+01 0.11055081612932D+01
|
|
2 3 3 2 -0.26034857810657D+01 -0.33820949228141D+00
|
|
3 3 3 2 -0.28496119942253D+00 0.38297119750243D+00
|
|
1 4 3 2 -0.94803257375650D+00 -0.10675869359174D+01
|
|
2 4 3 2 -0.87710851245176D-01 -0.23585658759406D+00
|
|
3 4 3 2 -0.55675183551852D+00 -0.27903403261567D+00
|
|
1 5 3 2 -0.12805034445101D+01 -0.89078642647046D-01
|
|
2 5 3 2 -0.41846986999731D+01 -0.57702692724766D-01
|
|
3 5 3 2 0.51734210178579D+01 -0.67719545496425D-01
|
|
1 6 3 2 0.77321211983176D+01 -0.34797862995822D+00
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