mirror of https://github.com/abinit/abinit.git
3476 lines
216 KiB
Plaintext
3476 lines
216 KiB
Plaintext
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**** DERIVATIVE DATABASE ****
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+DDB, Version number 100401
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BaHfO3 DDB on 4 4 4 mesh + gs + elast + elec
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usepaw 0
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natom 5
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nkpt 512
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nsppol 1
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nsym 48
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ntypat 3
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occopt 1
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nband 25
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acell 0.78411195940000D+01 0.78411195940000D+01 0.78411195940000D+01
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amu 0.13732700000000D+03 0.17849000000000D+03 0.15999400000000D+02
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dilatmx 0.10000000000000D+01
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ecut 0.55000000000000D+02
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ecutsm 0.50000000000000D+00
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intxc 0
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iscf 7
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ixc -116133
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kpt 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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-0.12500000000000D+00 -0.12500000000000D+00 -0.12500000000000D+00
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kptnrm 0.10000000000000D+01
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ngfft 54 54 54
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nspden 1
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nspinor 1
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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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0.00000000000000D+00 0.10000000000000D+01 0.00000000000000D+00
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1 1 1 1 1 1 1 1 1 1 1 1
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1 1 1 1 1 1 1 1 1 1 1 1
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1 1 1 1 1 1 1 1 1 1 1 1
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symrel 1 0 0 0 1 0 0 0 1
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1 0 0 0 1 0 0 0 -1
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1 0 0 0 -1 0 0 0 -1
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0 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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0 -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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0 -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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0 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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0 0 1 1 0 0 0 1 0
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0 0 -1 -1 0 0 0 -1 0
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0 0 -1 1 0 0 0 -1 0
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0 0 1 -1 0 0 0 1 0
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0 0 -1 -1 0 0 0 1 0
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0 0 1 1 0 0 0 -1 0
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0 0 1 -1 0 0 0 -1 0
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0 0 -1 1 0 0 0 1 0
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1 0 0 0 0 1 0 1 0
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1 0 0 0 0 -1 0 1 0
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1 0 0 0 0 1 0 -1 0
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1 0 0 0 0 -1 0 -1 0
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0 1 0 0 0 1 1 0 0
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0 -1 0 0 0 -1 -1 0 0
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0 -1 0 0 0 1 -1 0 0
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0 1 0 0 0 -1 1 0 0
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|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02
|
|
xred 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.50000000000000D+00 0.50000000000000D+00 0.50000000000000D+00
|
|
0.50000000000000D+00 0.00000000000000D+00 0.50000000000000D+00
|
|
0.00000000000000D+00 0.50000000000000D+00 0.50000000000000D+00
|
|
0.50000000000000D+00 0.50000000000000D+00 0.00000000000000D+00
|
|
znucl 0.56000000000000D+02 0.72000000000000D+02 0.80000000000000D+01
|
|
zion 0.10000000000000D+02 0.12000000000000D+02 0.60000000000000D+01
|
|
|
|
Description of the potentials (KB energies)
|
|
vrsio8 (for pseudopotentials)=100401
|
|
usepaw = 0
|
|
dimekb = 8 lmnmax= 8
|
|
Atom type= 1 pspso= 0 nekb= 6
|
|
iln lpsang iproj ekb(:)
|
|
1 0 1 6.6523722E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
0.0000000E+00 0.0000000E+00
|
|
2 0 2 0.0000000E+00 6.7702417E-01 0.0000000E+00 0.0000000E+00
|
|
0.0000000E+00 0.0000000E+00
|
|
3 1 1 0.0000000E+00 0.0000000E+00 5.0277225E+00 0.0000000E+00
|
|
0.0000000E+00 0.0000000E+00
|
|
4 1 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 4.0846159E-01
|
|
0.0000000E+00 0.0000000E+00
|
|
5 2 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
2.5432366E+00 0.0000000E+00
|
|
6 2 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
2.5432366E+00 0.0000000E+00
|
|
Atom type= 2 pspso= 0 nekb= 8
|
|
iln lpsang iproj ekb(:)
|
|
1 0 1 5.8827501E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
2 0 2 0.0000000E+00 -5.1910748E-01 0.0000000E+00 0.0000000E+00
|
|
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
3 1 1 0.0000000E+00 0.0000000E+00 2.5556854E+00 0.0000000E+00
|
|
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
4 1 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 -1.7686088E+00
|
|
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
5 2 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
1.3832590E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
6 2 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
1.3832590E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
7 3 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
1.3832590E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
8 3 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
1.3832590E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
Atom type= 3 pspso= 0 nekb= 5
|
|
iln lpsang iproj ekb(:)
|
|
1 0 1 6.0500315E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
0.0000000E+00
|
|
2 0 2 0.0000000E+00 8.2036289E-01 0.0000000E+00 0.0000000E+00
|
|
0.0000000E+00
|
|
3 1 1 0.0000000E+00 0.0000000E+00 -4.7396168E+00 0.0000000E+00
|
|
0.0000000E+00
|
|
4 1 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 -1.1538406E+00
|
|
0.0000000E+00
|
|
5 2 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
-1.3358345E+00
|
|
|
|
**** Database of total energy derivatives ****
|
|
Number of data blocks= 12
|
|
|
|
Total energy - # elements : 1
|
|
-0.13431878198735D+03 0.00000000000000D+00
|
|
|
|
1st derivatives - # elements : 21
|
|
1 1 0.00000000000000D+00 0.00000000000000D+00
|
|
2 1 0.00000000000000D+00 0.00000000000000D+00
|
|
3 1 0.00000000000000D+00 0.00000000000000D+00
|
|
1 2 0.00000000000000D+00 0.00000000000000D+00
|
|
2 2 0.00000000000000D+00 0.00000000000000D+00
|
|
3 2 0.00000000000000D+00 0.00000000000000D+00
|
|
1 3 0.00000000000000D+00 0.00000000000000D+00
|
|
2 3 0.00000000000000D+00 0.00000000000000D+00
|
|
3 3 0.00000000000000D+00 0.00000000000000D+00
|
|
1 4 0.00000000000000D+00 0.00000000000000D+00
|
|
2 4 0.00000000000000D+00 0.00000000000000D+00
|
|
3 4 0.00000000000000D+00 0.00000000000000D+00
|
|
1 5 0.00000000000000D+00 0.00000000000000D+00
|
|
2 5 0.00000000000000D+00 0.00000000000000D+00
|
|
3 5 0.00000000000000D+00 0.00000000000000D+00
|
|
1 8 0.22364247606599D-10 0.00000000000000D+00
|
|
2 8 0.22364256280216D-10 0.00000000000000D+00
|
|
3 8 0.22364256280216D-10 0.00000000000000D+00
|
|
1 9 0.00000000000000D+00 0.00000000000000D+00
|
|
2 9 0.00000000000000D+00 0.00000000000000D+00
|
|
3 9 0.00000000000000D+00 0.00000000000000D+00
|
|
|
|
2nd derivatives (non-stat.) - # elements : 468
|
|
qpt 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
|
|
1 1 1 1 0.24994802736363D+01 0.00000000000000D+00
|
|
2 1 1 1 -0.73102592288980D-15 0.00000000000000D+00
|
|
3 1 1 1 -0.60823966414288D-15 0.00000000000000D+00
|
|
1 2 1 1 -0.22670518218830D+01 0.00000000000000D+00
|
|
2 2 1 1 0.20241052394126D-15 0.00000000000000D+00
|
|
3 2 1 1 -0.57563121110847D-17 0.00000000000000D+00
|
|
1 3 1 1 0.26717434647166D+00 0.00000000000000D+00
|
|
2 3 1 1 -0.90761763132714D-16 0.00000000000000D+00
|
|
3 3 1 1 0.37501816755262D-15 0.00000000000000D+00
|
|
1 4 1 1 -0.76676969512817D+00 0.00000000000000D+00
|
|
2 4 1 1 0.24435865144709D-15 0.00000000000000D+00
|
|
3 4 1 1 0.24191919593237D-15 0.00000000000000D+00
|
|
1 5 1 1 0.26717434647166D+00 0.00000000000000D+00
|
|
2 5 1 1 0.37501851063416D-15 0.00000000000000D+00
|
|
3 5 1 1 -0.29413872310163D-17 0.00000000000000D+00
|
|
1 7 1 1 -0.45530162637434D+02 0.00000000000000D+00
|
|
2 7 1 1 0.00000000000000D+00 0.00000000000000D+00
|
|
3 7 1 1 0.00000000000000D+00 0.00000000000000D+00
|
|
1 1 2 1 -0.73102592288980D-15 0.00000000000000D+00
|
|
2 1 2 1 0.24994802736363D+01 0.00000000000000D+00
|
|
3 1 2 1 0.13080136545264D-16 0.00000000000000D+00
|
|
1 2 2 1 0.20241052394126D-15 0.00000000000000D+00
|
|
2 2 2 1 -0.22670518218831D+01 0.00000000000000D+00
|
|
3 2 2 1 0.71891050914188D-16 0.00000000000000D+00
|
|
1 3 2 1 -0.90761763132714D-16 0.00000000000000D+00
|
|
2 3 2 1 -0.76676969512814D+00 0.00000000000000D+00
|
|
3 3 2 1 -0.17866528534118D-16 0.00000000000000D+00
|
|
1 4 2 1 0.24435865144709D-15 0.00000000000000D+00
|
|
2 4 2 1 0.26717434647166D+00 0.00000000000000D+00
|
|
3 4 2 1 -0.64800454054685D-17 0.00000000000000D+00
|
|
1 5 2 1 0.37501851063416D-15 0.00000000000000D+00
|
|
2 5 2 1 0.26717434647167D+00 0.00000000000000D+00
|
|
3 5 2 1 -0.60624613519866D-16 0.00000000000000D+00
|
|
1 7 2 1 0.00000000000000D+00 0.00000000000000D+00
|
|
2 7 2 1 -0.45530162637434D+02 0.00000000000000D+00
|
|
3 7 2 1 0.00000000000000D+00 0.00000000000000D+00
|
|
1 1 3 1 -0.60823966414288D-15 0.00000000000000D+00
|
|
2 1 3 1 0.13080136545264D-16 0.00000000000000D+00
|
|
3 1 3 1 0.24994802736364D+01 0.00000000000000D+00
|
|
1 2 3 1 -0.57563121110847D-17 0.00000000000000D+00
|
|
2 2 3 1 0.71891050914188D-16 0.00000000000000D+00
|
|
3 2 3 1 -0.22670518218831D+01 0.00000000000000D+00
|
|
1 3 3 1 0.37501816755262D-15 0.00000000000000D+00
|
|
2 3 3 1 -0.17866528534118D-16 0.00000000000000D+00
|
|
3 3 3 1 0.26717434647173D+00 0.00000000000000D+00
|
|
1 4 3 1 0.24191919593237D-15 0.00000000000000D+00
|
|
2 4 3 1 -0.64800454054685D-17 0.00000000000000D+00
|
|
3 4 3 1 0.26717434647173D+00 0.00000000000000D+00
|
|
1 5 3 1 -0.29413872310163D-17 0.00000000000000D+00
|
|
2 5 3 1 -0.60624613519866D-16 0.00000000000000D+00
|
|
3 5 3 1 -0.76676969512812D+00 0.00000000000000D+00
|
|
1 7 3 1 0.00000000000000D+00 0.00000000000000D+00
|
|
2 7 3 1 0.00000000000000D+00 0.00000000000000D+00
|
|
3 7 3 1 -0.45530162637434D+02 0.00000000000000D+00
|
|
1 1 1 2 -0.22670518209747D+01 0.00000000000000D+00
|
|
2 1 1 2 0.20241052394126D-15 0.00000000000000D+00
|
|
3 1 1 2 -0.57563121110847D-17 0.00000000000000D+00
|
|
1 2 1 2 0.62587318461337D+01 0.00000000000000D+00
|
|
2 2 1 2 -0.25714293974747D-15 0.00000000000000D+00
|
|
3 2 1 2 0.71449114859769D-16 0.00000000000000D+00
|
|
1 3 1 2 -0.31681596300690D+00 0.00000000000000D+00
|
|
2 3 1 2 0.33760298156309D-15 0.00000000000000D+00
|
|
3 3 1 2 -0.29549887661704D-15 0.00000000000000D+00
|
|
1 4 1 2 -0.33585248735693D+01 0.00000000000000D+00
|
|
2 4 1 2 0.92969302786111D-17 0.00000000000000D+00
|
|
3 4 1 2 -0.99990648708574D-16 0.00000000000000D+00
|
|
1 5 1 2 -0.31681596300679D+00 0.00000000000000D+00
|
|
2 5 1 2 -0.29216749603549D-15 0.00000000000000D+00
|
|
3 5 1 2 0.32979672257693D-15 0.00000000000000D+00
|
|
1 7 1 2 -0.38855556346397D+02 0.00000000000000D+00
|
|
2 7 1 2 0.00000000000000D+00 0.00000000000000D+00
|
|
3 7 1 2 0.00000000000000D+00 0.00000000000000D+00
|
|
1 1 2 2 0.20241052394126D-15 0.00000000000000D+00
|
|
2 1 2 2 -0.22670518209747D+01 0.00000000000000D+00
|
|
3 1 2 2 0.71891050914188D-16 0.00000000000000D+00
|
|
1 2 2 2 -0.25714293974747D-15 0.00000000000000D+00
|
|
2 2 2 2 0.62587318461319D+01 0.00000000000000D+00
|
|
3 2 2 2 0.69001438008368D-15 0.00000000000000D+00
|
|
1 3 2 2 0.33760298156309D-15 0.00000000000000D+00
|
|
2 3 2 2 -0.33585248735691D+01 0.00000000000000D+00
|
|
3 3 2 2 -0.17094750498063D-15 0.00000000000000D+00
|
|
1 4 2 2 0.92969302786112D-17 0.00000000000000D+00
|
|
2 4 2 2 -0.31681596300690D+00 0.00000000000000D+00
|
|
3 4 2 2 0.23510344075219D-16 0.00000000000000D+00
|
|
1 5 2 2 -0.29216749603549D-15 0.00000000000000D+00
|
|
2 5 2 2 -0.31681596300682D+00 0.00000000000000D+00
|
|
3 5 2 2 -0.61446827009245D-15 0.00000000000000D+00
|
|
1 7 2 2 0.00000000000000D+00 0.00000000000000D+00
|
|
2 7 2 2 -0.38855556346397D+02 0.00000000000000D+00
|
|
3 7 2 2 0.00000000000000D+00 0.00000000000000D+00
|
|
1 1 3 2 -0.57563121110847D-17 0.00000000000000D+00
|
|
2 1 3 2 0.71891050914188D-16 0.00000000000000D+00
|
|
3 1 3 2 -0.22670518209748D+01 0.00000000000000D+00
|
|
1 2 3 2 0.71449114859769D-16 0.00000000000000D+00
|
|
2 2 3 2 0.69001438008368D-15 0.00000000000000D+00
|
|
3 2 3 2 0.62587318461319D+01 0.00000000000000D+00
|
|
1 3 3 2 -0.29549887661704D-15 0.00000000000000D+00
|
|
2 3 3 2 -0.17094750498063D-15 0.00000000000000D+00
|
|
3 3 3 2 -0.31681596300687D+00 0.00000000000000D+00
|
|
1 4 3 2 -0.99990648708574D-16 0.00000000000000D+00
|
|
2 4 3 2 0.23510344075219D-16 0.00000000000000D+00
|
|
3 4 3 2 -0.31681596300687D+00 0.00000000000000D+00
|
|
1 5 3 2 0.32979672257693D-15 0.00000000000000D+00
|
|
2 5 3 2 -0.61446827009245D-15 0.00000000000000D+00
|
|
3 5 3 2 -0.33585248735688D+01 0.00000000000000D+00
|
|
1 7 3 2 0.00000000000000D+00 0.00000000000000D+00
|
|
2 7 3 2 0.00000000000000D+00 0.00000000000000D+00
|
|
3 7 3 2 -0.38855556346397D+02 0.00000000000000D+00
|
|
1 1 1 3 0.26717449749304D+00 0.00000000000000D+00
|
|
2 1 1 3 -0.90761763132714D-16 0.00000000000000D+00
|
|
3 1 1 3 0.37501816755262D-15 0.00000000000000D+00
|
|
1 2 1 3 -0.31681588414585D+00 0.00000000000000D+00
|
|
2 2 1 3 0.33760298156309D-15 0.00000000000000D+00
|
|
3 2 1 3 -0.29549887661704D-15 0.00000000000000D+00
|
|
1 3 1 3 0.19302161904689D+01 0.00000000000000D+00
|
|
2 3 1 3 -0.61846751567913D-15 0.00000000000000D+00
|
|
3 3 1 3 -0.22290597615635D-15 0.00000000000000D+00
|
|
1 4 1 3 -0.22439360837169D+01 0.00000000000000D+00
|
|
2 4 1 3 0.22501110638050D-15 0.00000000000000D+00
|
|
3 4 1 3 -0.17648323386097D-17 0.00000000000000D+00
|
|
1 5 1 3 0.35746266503236D+00 0.00000000000000D+00
|
|
2 5 1 3 0.14661519086825D-15 0.00000000000000D+00
|
|
3 5 1 3 0.14515151755942D-15 0.00000000000000D+00
|
|
1 7 1 3 -0.50385808962735D+02 0.00000000000000D+00
|
|
2 7 1 3 0.00000000000000D+00 0.00000000000000D+00
|
|
3 7 1 3 0.00000000000000D+00 0.00000000000000D+00
|
|
1 1 2 3 -0.90761763132714D-16 0.00000000000000D+00
|
|
2 1 2 3 -0.76676969512814D+00 0.00000000000000D+00
|
|
3 1 2 3 -0.17866528534118D-16 0.00000000000000D+00
|
|
1 2 2 3 0.33760298156309D-15 0.00000000000000D+00
|
|
2 2 2 3 -0.33585248735691D+01 0.00000000000000D+00
|
|
3 2 2 3 -0.17094750498063D-15 0.00000000000000D+00
|
|
1 3 2 3 -0.61846751567913D-15 0.00000000000000D+00
|
|
2 3 2 3 0.86069525188191D+01 0.00000000000000D+00
|
|
3 3 2 3 0.22907682886995D-15 0.00000000000000D+00
|
|
1 4 2 3 0.22501110638050D-15 0.00000000000000D+00
|
|
2 4 2 3 -0.22439360837169D+01 0.00000000000000D+00
|
|
3 4 2 3 -0.36374768111920D-16 0.00000000000000D+00
|
|
1 5 2 3 0.14661519086825D-15 0.00000000000000D+00
|
|
2 5 2 3 -0.22439360837168D+01 0.00000000000000D+00
|
|
3 5 2 3 -0.38880272432811D-17 0.00000000000000D+00
|
|
1 7 2 3 0.00000000000000D+00 0.00000000000000D+00
|
|
2 7 2 3 -0.66173258815787D+02 0.00000000000000D+00
|
|
3 7 2 3 0.00000000000000D+00 0.00000000000000D+00
|
|
1 1 3 3 0.37501816755262D-15 0.00000000000000D+00
|
|
2 1 3 3 -0.17866528534118D-16 0.00000000000000D+00
|
|
3 1 3 3 0.26717449749318D+00 0.00000000000000D+00
|
|
1 2 3 3 -0.29549887661704D-15 0.00000000000000D+00
|
|
2 2 3 3 -0.17094750498063D-15 0.00000000000000D+00
|
|
3 2 3 3 -0.31681588414581D+00 0.00000000000000D+00
|
|
1 3 3 3 -0.22290597615635D-15 0.00000000000000D+00
|
|
2 3 3 3 0.22907682886995D-15 0.00000000000000D+00
|
|
3 3 3 3 0.19302161904648D+01 0.00000000000000D+00
|
|
1 4 3 3 -0.17648323386098D-17 0.00000000000000D+00
|
|
2 4 3 3 -0.36374768111920D-16 0.00000000000000D+00
|
|
3 4 3 3 0.35746266503238D+00 0.00000000000000D+00
|
|
1 5 3 3 0.14515151755942D-15 0.00000000000000D+00
|
|
2 5 3 3 -0.38880272432811D-17 0.00000000000000D+00
|
|
3 5 3 3 -0.22439360837168D+01 0.00000000000000D+00
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2 7 2 9 0.00000000000000D+00 0.00000000000000D+00
|
|
3 7 2 9 0.00000000000000D+00 0.00000000000000D+00
|
|
1 8 2 9 0.15884912433759D-06 0.00000000000000D+00
|
|
2 8 2 9 0.47580756889625D-07 0.00000000000000D+00
|
|
3 8 2 9 0.15884912512577D-06 0.00000000000000D+00
|
|
1 9 2 9 0.13374068580034D-14 0.00000000000000D+00
|
|
2 9 2 9 0.15740836671324D+01 0.00000000000000D+00
|
|
3 9 2 9 0.35214847118083D-14 0.00000000000000D+00
|
|
1 1 3 9 0.10791828563956D-15 0.00000000000000D+00
|
|
2 1 3 9 -0.17302970607664D-14 0.00000000000000D+00
|
|
3 1 3 9 0.58179772862257D-15 0.00000000000000D+00
|
|
1 2 3 9 -0.44791018389732D-13 0.00000000000000D+00
|
|
2 2 3 9 -0.39242396888077D-13 0.00000000000000D+00
|
|
3 2 3 9 -0.13471380406444D-15 0.00000000000000D+00
|
|
1 3 3 9 0.99321218907007D-14 0.00000000000000D+00
|
|
2 3 3 9 -0.24022208891199D-13 0.00000000000000D+00
|
|
3 3 3 9 -0.48378490237822D-15 0.00000000000000D+00
|
|
1 4 3 9 -0.29509401673551D-13 0.00000000000000D+00
|
|
2 4 3 9 0.88563305954346D-14 0.00000000000000D+00
|
|
3 4 3 9 -0.50679372960588D-15 0.00000000000000D+00
|
|
1 5 3 9 -0.28330870770173D-13 0.00000000000000D+00
|
|
2 5 3 9 -0.30263227098679D-13 0.00000000000000D+00
|
|
3 5 3 9 -0.97604057597726D-15 0.00000000000000D+00
|
|
1 7 3 9 0.00000000000000D+00 0.00000000000000D+00
|
|
2 7 3 9 0.00000000000000D+00 0.00000000000000D+00
|
|
3 7 3 9 0.00000000000000D+00 0.00000000000000D+00
|
|
1 8 3 9 0.61756915094698D-06 0.00000000000000D+00
|
|
2 8 3 9 0.61756915170788D-06 0.00000000000000D+00
|
|
3 8 3 9 -0.70229258918040D-06 0.00000000000000D+00
|
|
1 9 3 9 0.27263949363578D-14 0.00000000000000D+00
|
|
2 9 3 9 0.36853493050978D-14 0.00000000000000D+00
|
|
3 9 3 9 0.15740837040449D+01 0.00000000000000D+00
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 2.50000000E-01 0.00000000E+00 0.00000000E+00 1.0
|
|
1 1 1 1 0.59427359878309D+01 0.12190695337920D-16
|
|
2 1 1 1 -0.85619472697213D-15 -0.40962176496598D-19
|
|
3 1 1 1 0.47295068553908D-17 0.00000000000000D+00
|
|
1 2 1 1 0.15151931418816D+01 0.15152631942466D+01
|
|
2 2 1 1 0.40483128803027D-16 0.34021308266213D-15
|
|
3 2 1 1 -0.17695420572066D-14 -0.15967640432692D-14
|
|
1 3 1 1 -0.83769288132392D+00 -0.83768933988316D+00
|
|
2 3 1 1 0.56395518302986D-15 0.46628171071210D-15
|
|
3 3 1 1 -0.38771693689045D-14 -0.22031529138636D-15
|
|
1 4 1 1 -0.42835319315242D+01 -0.11104522357078D-03
|
|
2 4 1 1 0.12256312500774D-15 0.23059762427192D-15
|
|
3 4 1 1 0.35204268793092D-15 0.23212285172743D-15
|
|
1 5 1 1 -0.83769288132393D+00 -0.83768933988317D+00
|
|
2 5 1 1 -0.39348738887847D-14 -0.16301685682853D-15
|
|
3 5 1 1 -0.14127396532163D-15 -0.14823423423131D-15
|
|
1 1 2 1 -0.85619472697213D-15 -0.40962176496598D-19
|
|
2 1 2 1 0.24466287437210D+01 0.21944244303737D-17
|
|
3 1 2 1 -0.13202814087154D-14 0.00000000000000D+00
|
|
1 2 2 1 0.40483128803027D-16 0.34021308266213D-15
|
|
2 2 2 1 -0.11322561172869D+01 -0.11322737538294D+01
|
|
3 2 2 1 0.46524860978843D-15 -0.93510460910017D-15
|
|
1 3 2 1 0.56395518302986D-15 0.46628171071210D-15
|
|
2 3 2 1 -0.38257748813027D+00 -0.38257546460003D+00
|
|
3 3 2 1 0.16195375731533D-15 -0.22322158920879D-15
|
|
1 4 2 1 0.12256312500774D-15 0.23059762427192D-15
|
|
2 4 2 1 0.29577600785868D+00 0.99206178909644D-05
|
|
3 4 2 1 0.30344371401297D-15 -0.14249935818413D-18
|
|
1 5 2 1 -0.39348738887847D-14 -0.16301685682853D-15
|
|
2 5 2 1 0.13023043708880D+00 0.13028568160334D+00
|
|
3 5 2 1 0.63595624029799D-16 0.15878202915849D-16
|
|
1 1 3 1 0.47295068553908D-17 0.00000000000000D+00
|
|
2 1 3 1 -0.13202814087154D-14 0.00000000000000D+00
|
|
3 1 3 1 0.24466287437215D+01 0.21957065603635D-17
|
|
1 2 3 1 -0.17695420572066D-14 -0.15967640432692D-14
|
|
2 2 3 1 0.46524860978843D-15 -0.93510460910017D-15
|
|
3 2 3 1 -0.11322561172869D+01 -0.11322737538294D+01
|
|
1 3 3 1 -0.38771693689045D-14 -0.22031529138636D-15
|
|
2 3 3 1 0.16195375731533D-15 -0.22322158920879D-15
|
|
3 3 3 1 0.13023043708882D+00 0.13028568160334D+00
|
|
1 4 3 1 0.35204268793092D-15 0.23212285172743D-15
|
|
2 4 3 1 0.30344371401297D-15 -0.14249935818413D-18
|
|
3 4 3 1 0.29577600785870D+00 0.99206178909644D-05
|
|
1 5 3 1 -0.14127396532163D-15 -0.14823423423131D-15
|
|
2 5 3 1 0.63595624029799D-16 0.15878202915849D-16
|
|
3 5 3 1 -0.38257748813026D+00 -0.38257546460002D+00
|
|
1 1 1 2 0.15151931418792D+01 -0.15152631942448D+01
|
|
2 1 1 2 0.40483128803027D-16 -0.34021308266213D-15
|
|
3 1 1 2 -0.17695420572066D-14 0.15967640432692D-14
|
|
1 2 1 2 0.19976721753748D+02 -0.27302473846607D-14
|
|
2 2 1 2 -0.43738601762601D-15 -0.23348612589274D-14
|
|
3 2 1 2 0.95412472109730D-15 -0.23347916990042D-14
|
|
1 3 1 2 -0.42954529865042D+01 0.70415325699703D-04
|
|
2 3 1 2 0.60800924523380D-16 -0.36202152605572D-15
|
|
3 3 1 2 -0.59705083119803D-16 0.11787490160992D-15
|
|
1 4 1 2 -0.63664385913234D+01 0.63662279896639D+01
|
|
2 4 1 2 0.10391540416119D-14 -0.74488059668823D-15
|
|
3 4 1 2 0.72782144004397D-15 -0.97034057454727D-15
|
|
1 5 1 2 -0.42954529865042D+01 0.70415325699703D-04
|
|
2 5 1 2 -0.51412240746659D-15 0.11789965679303D-15
|
|
3 5 1 2 0.56186440665380D-15 -0.36062041373802D-15
|
|
1 1 2 2 0.40483128803027D-16 -0.34021308266213D-15
|
|
2 1 2 2 -0.11322561172865D+01 0.11322737538282D+01
|
|
3 1 2 2 0.46524860978843D-15 0.93510460910017D-15
|
|
1 2 2 2 -0.43738601762601D-15 -0.23348612589274D-14
|
|
2 2 2 2 0.62384863455286D+01 -0.30803110073690D-14
|
|
3 2 2 2 -0.12300262450916D-14 -0.25714043666341D-14
|
|
1 3 2 2 0.60800924523380D-16 -0.36202152605572D-15
|
|
2 3 2 2 -0.33758743861831D+01 0.23771464880233D-04
|
|
3 3 2 2 0.33166170119625D-15 0.00000000000000D+00
|
|
1 4 2 2 0.10391540416119D-14 -0.74488059668823D-15
|
|
2 4 2 2 -0.16533731467805D+00 0.16490916275789D+00
|
|
3 4 2 2 -0.20182471251790D-15 0.14580723382655D-15
|
|
1 5 2 2 -0.51412240746659D-15 0.11789965679303D-15
|
|
2 5 2 2 -0.31031542568034D+00 0.15542618279511D-03
|
|
3 5 2 2 0.35546791138850D-15 0.00000000000000D+00
|
|
1 1 3 2 -0.17695420572066D-14 0.15967640432692D-14
|
|
2 1 3 2 0.46524860978843D-15 0.93510460910017D-15
|
|
3 1 3 2 -0.11322561172865D+01 0.11322737538282D+01
|
|
1 2 3 2 0.95412472109730D-15 -0.23347916990042D-14
|
|
2 2 3 2 -0.12300262450916D-14 -0.25714043666341D-14
|
|
3 2 3 2 0.62384863455291D+01 -0.30803091611019D-14
|
|
1 3 3 2 -0.59705083119803D-16 0.11787490160992D-15
|
|
2 3 3 2 0.33166170119625D-15 0.00000000000000D+00
|
|
3 3 3 2 -0.31031542568034D+00 0.15542618279511D-03
|
|
1 4 3 2 0.72782144004397D-15 -0.97034057454727D-15
|
|
2 4 3 2 -0.20182471251790D-15 0.14580723382655D-15
|
|
3 4 3 2 -0.16533731467806D+00 0.16490916275789D+00
|
|
1 5 3 2 0.56186440665380D-15 -0.36062041373802D-15
|
|
2 5 3 2 0.35546791138850D-15 0.00000000000000D+00
|
|
3 5 3 2 -0.33758743861831D+01 0.23771464880233D-04
|
|
1 1 1 3 -0.83768481463947D+00 0.83765847367755D+00
|
|
2 1 1 3 0.56395518302986D-15 -0.46628171071210D-15
|
|
3 1 1 3 -0.38771693689045D-14 0.22031529138636D-15
|
|
1 2 1 3 -0.42955488380293D+01 0.36002214177918D-04
|
|
2 2 1 3 0.60800924523380D-16 0.36202152605572D-15
|
|
3 2 1 3 -0.59705083119803D-16 -0.11787490160992D-15
|
|
1 3 1 3 0.35335436886662D+01 -0.18296148508384D-15
|
|
2 3 1 3 -0.66352828514875D-15 -0.14746383538775D-19
|
|
3 3 1 3 -0.22370745968725D-17 -0.13124002938211D-15
|
|
1 4 1 3 0.38701156814915D+00 -0.38704734168135D+00
|
|
2 4 1 3 -0.37867109027808D-15 0.13614796658520D-14
|
|
3 4 1 3 0.46709573697718D-15 0.21747072533785D-15
|
|
1 5 1 3 0.16076033538994D+01 -0.58717424668110D-16
|
|
2 5 1 3 0.73537875004643D-16 0.12372184523459D-15
|
|
3 5 1 3 0.21122561275855D-15 -0.14175149207178D-15
|
|
1 1 2 3 0.56395518302986D-15 -0.46628171071210D-15
|
|
2 1 2 3 -0.38257748813086D+00 0.38257546459974D+00
|
|
3 1 2 3 0.16195375731533D-15 0.22322158920879D-15
|
|
1 2 2 3 0.60800924523380D-16 0.36202152605572D-15
|
|
2 2 2 3 -0.33758743861879D+01 -0.23771464961789D-04
|
|
3 2 2 3 0.33166170119625D-15 0.00000000000000D+00
|
|
1 3 2 3 -0.66352828514875D-15 -0.14746383538775D-19
|
|
2 3 2 3 0.86668984774101D+01 -0.20677210220278D-16
|
|
3 3 2 3 -0.25093332742388D-15 0.00000000000000D+00
|
|
1 4 2 3 -0.37867109027808D-15 0.13614796658520D-14
|
|
2 4 2 3 -0.10983978030473D+01 0.10983782209633D+01
|
|
3 4 2 3 0.31322579084497D-16 -0.93718067383890D-17
|
|
1 5 2 3 0.73537875004643D-16 0.12372184523459D-15
|
|
2 5 2 3 -0.22558724512542D+01 -0.10503240717205D-04
|
|
3 5 2 3 0.18206622840778D-15 -0.69159733015692D-17
|
|
1 1 3 3 -0.38771693689045D-14 0.22031529138636D-15
|
|
2 1 3 3 0.16195375731533D-15 0.22322158920879D-15
|
|
3 1 3 3 0.13023043708882D+00 -0.13028568160334D+00
|
|
1 2 3 3 -0.59705083119803D-16 -0.11787490160992D-15
|
|
2 2 3 3 0.33166170119625D-15 0.00000000000000D+00
|
|
3 2 3 3 -0.31031542568034D+00 -0.15542618279511D-03
|
|
1 3 3 3 -0.22370745968725D-17 -0.13124002938211D-15
|
|
2 3 3 3 -0.25093332742388D-15 0.00000000000000D+00
|
|
3 3 3 3 0.20936986003526D+01 -0.15143153065523D-15
|
|
1 4 3 3 0.46709573697718D-15 0.21747072533785D-15
|
|
2 4 3 3 0.31322579084497D-16 -0.93718067383890D-17
|
|
3 4 3 3 0.17214426572979D+00 -0.17209046808186D+00
|
|
1 5 3 3 0.21122561275855D-15 -0.14175149207178D-15
|
|
2 5 3 3 0.18206622840778D-15 -0.69159733015692D-17
|
|
3 5 3 3 -0.22558724512542D+01 0.10503240717251D-04
|
|
1 1 1 4 -0.42835319315238D+01 0.11104522453216D-03
|
|
2 1 1 4 0.12256312500774D-15 -0.23059762427192D-15
|
|
3 1 1 4 0.35204268793092D-15 -0.23212285172743D-15
|
|
1 2 1 4 -0.63664385913222D+01 -0.63662279896662D+01
|
|
2 2 1 4 0.10391540416119D-14 0.74488059668823D-15
|
|
3 2 1 4 0.72782144004397D-15 0.97034057454727D-15
|
|
1 3 1 4 0.38701646951368D+00 0.38703263045233D+00
|
|
2 3 1 4 -0.37867109027808D-15 -0.13614796658520D-14
|
|
3 3 1 4 0.46709573697718D-15 -0.21747072533785D-15
|
|
1 4 1 4 0.18044028347177D+02 0.43886503216512D-17
|
|
2 4 1 4 -0.46927039969621D-15 -0.14746383538775D-19
|
|
3 4 1 4 -0.14450571385737D-15 0.00000000000000D+00
|
|
1 5 1 4 0.38701646951368D+00 0.38703263045233D+00
|
|
2 5 1 4 0.27006837295133D-15 0.25439869559110D-15
|
|
3 5 1 4 0.67130054514521D-15 -0.21305906191571D-14
|
|
1 1 2 4 0.12256312500774D-15 -0.23059762427192D-15
|
|
2 1 2 4 0.29577600786019D+00 -0.99206178931779D-05
|
|
3 1 2 4 0.30344371401297D-15 0.14249935818413D-18
|
|
1 2 2 4 0.10391540416119D-14 0.74488059668823D-15
|
|
2 2 2 4 -0.16533731467967D+00 -0.16490916276244D+00
|
|
3 2 2 4 -0.20182471251790D-15 -0.14580723382655D-15
|
|
1 3 2 4 -0.37867109027808D-15 -0.13614796658520D-14
|
|
2 3 2 4 -0.10983978030475D+01 -0.10983782209640D+01
|
|
3 3 2 4 0.31322579084497D-16 0.93718067383890D-17
|
|
1 4 2 4 -0.46927039969621D-15 -0.14746383538775D-19
|
|
2 4 2 4 0.23625360671845D+01 0.78999279493452D-18
|
|
3 4 2 4 -0.44994576973106D-15 0.00000000000000D+00
|
|
1 5 2 4 0.27006837295133D-15 0.25439869559110D-15
|
|
2 5 2 4 0.17214426572978D+00 0.17209046808186D+00
|
|
3 5 2 4 0.86926543859211D-16 -0.27572720404446D-16
|
|
1 1 3 4 0.35204268793092D-15 -0.23212285172743D-15
|
|
2 1 3 4 0.30344371401297D-15 0.14249935818413D-18
|
|
3 1 3 4 0.29577600786021D+00 -0.99206178931779D-05
|
|
1 2 3 4 0.72782144004397D-15 0.97034057454727D-15
|
|
2 2 3 4 -0.20182471251790D-15 -0.14580723382655D-15
|
|
3 2 3 4 -0.16533731467967D+00 -0.16490916276244D+00
|
|
1 3 3 4 0.46709573697718D-15 -0.21747072533785D-15
|
|
2 3 3 4 0.31322579084497D-16 0.93718067383890D-17
|
|
3 3 3 4 0.17214426572979D+00 0.17209046808186D+00
|
|
1 4 3 4 -0.14450571385737D-15 0.00000000000000D+00
|
|
2 4 3 4 -0.44994576973106D-15 0.00000000000000D+00
|
|
3 4 3 4 0.23625360671845D+01 0.79045436173085D-18
|
|
1 5 3 4 0.67130054514521D-15 -0.21305906191571D-14
|
|
2 5 3 4 0.86926543859211D-16 -0.27572720404446D-16
|
|
3 5 3 4 -0.10983978030475D+01 -0.10983782209640D+01
|
|
1 1 1 5 -0.83768481463948D+00 0.83765847367756D+00
|
|
2 1 1 5 -0.39348738887847D-14 0.16301685682853D-15
|
|
3 1 1 5 -0.14127396532163D-15 0.14823423423131D-15
|
|
1 2 1 5 -0.42955488380293D+01 0.36002214177918D-04
|
|
2 2 1 5 -0.51412240746659D-15 -0.11789965679303D-15
|
|
3 2 1 5 0.56186440665380D-15 0.36062041373802D-15
|
|
1 3 1 5 0.16076033538994D+01 0.58717424668110D-16
|
|
2 3 1 5 0.73537875004643D-16 -0.12372184523459D-15
|
|
3 3 1 5 0.21122561275855D-15 0.14175149207178D-15
|
|
1 4 1 5 0.38701156814916D+00 -0.38704734168135D+00
|
|
2 4 1 5 0.27006837295133D-15 -0.25439869559110D-15
|
|
3 4 1 5 0.67130054514521D-15 0.21305906191571D-14
|
|
1 5 1 5 0.35335436886648D+01 -0.18296148508384D-15
|
|
2 5 1 5 -0.22006991705681D-15 -0.13122692617681D-15
|
|
3 5 1 5 -0.47634885187751D-15 0.00000000000000D+00
|
|
1 1 2 5 -0.39348738887847D-14 0.16301685682853D-15
|
|
2 1 2 5 0.13023043708880D+00 -0.13028568160334D+00
|
|
3 1 2 5 0.63595624029799D-16 -0.15878202915849D-16
|
|
1 2 2 5 -0.51412240746659D-15 -0.11789965679303D-15
|
|
2 2 2 5 -0.31031542568034D+00 -0.15542618279511D-03
|
|
3 2 2 5 0.35546791138850D-15 0.00000000000000D+00
|
|
1 3 2 5 0.73537875004643D-16 -0.12372184523459D-15
|
|
2 3 2 5 -0.22558724512542D+01 0.10503240717205D-04
|
|
3 3 2 5 0.18206622840778D-15 0.69159733015692D-17
|
|
1 4 2 5 0.27006837295133D-15 -0.25439869559110D-15
|
|
2 4 2 5 0.17214426572978D+00 -0.17209046808186D+00
|
|
3 4 2 5 0.86926543859211D-16 0.27572720404446D-16
|
|
1 5 2 5 -0.22006991705681D-15 -0.13122692617681D-15
|
|
2 5 2 5 0.20936986003544D+01 -0.15143199222203D-15
|
|
3 5 2 5 0.20969067168224D-15 0.00000000000000D+00
|
|
1 1 3 5 -0.14127396532163D-15 0.14823423423131D-15
|
|
2 1 3 5 0.63595624029799D-16 -0.15878202915849D-16
|
|
3 1 3 5 -0.38257748813085D+00 0.38257546459973D+00
|
|
1 2 3 5 0.56186440665380D-15 0.36062041373802D-15
|
|
2 2 3 5 0.35546791138850D-15 0.00000000000000D+00
|
|
3 2 3 5 -0.33758743861878D+01 -0.23771464961789D-04
|
|
1 3 3 5 0.21122561275855D-15 0.14175149207178D-15
|
|
2 3 3 5 0.18206622840778D-15 0.69159733015692D-17
|
|
3 3 3 5 -0.22558724512542D+01 -0.10503240717251D-04
|
|
1 4 3 5 0.67130054514521D-15 0.21305906191571D-14
|
|
2 4 3 5 0.86926543859211D-16 0.27572720404446D-16
|
|
3 4 3 5 -0.10983978030473D+01 0.10983782209633D+01
|
|
1 5 3 5 -0.47634885187751D-15 0.00000000000000D+00
|
|
2 5 3 5 0.20969067168224D-15 0.00000000000000D+00
|
|
3 5 3 5 0.86668984774096D+01 -0.20676748653482D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 5.00000000E-01 0.00000000E+00 0.00000000E+00 1.0
|
|
1 1 1 1 0.67300017966413D+01 0.00000000000000D+00
|
|
2 1 1 1 -0.37542823894249D-15 0.00000000000000D+00
|
|
3 1 1 1 -0.25306549666924D-15 0.00000000000000D+00
|
|
1 2 1 1 0.12447824630446D-13 -0.39327159997545D-14
|
|
2 2 1 1 -0.42615710824319D-14 0.31256628428150D-15
|
|
3 2 1 1 -0.40779367188557D-14 0.24362600219354D-15
|
|
1 3 1 1 0.64886649246662D-14 -0.31376778993619D-14
|
|
2 3 1 1 -0.11670817631275D-17 0.23275706196664D-15
|
|
3 3 1 1 -0.43047563843956D-14 0.12255947610171D-14
|
|
1 4 1 1 -0.36738124107014D+01 -0.46142882887632D-04
|
|
2 4 1 1 0.10961863405143D-15 0.00000000000000D+00
|
|
3 4 1 1 0.10717917887907D-15 0.00000000000000D+00
|
|
1 5 1 1 0.64886649455695D-14 -0.32679585807198D-14
|
|
2 5 1 1 -0.26633515990814D-14 0.19155305120427D-15
|
|
3 5 1 1 -0.64882996607434D-18 0.53116442397398D-16
|
|
1 1 2 1 -0.37542823894249D-15 0.00000000000000D+00
|
|
2 1 2 1 0.23934076349899D+01 0.00000000000000D+00
|
|
3 1 2 1 -0.57086707351543D-15 0.00000000000000D+00
|
|
1 2 2 1 -0.42615710824319D-14 0.31256628428150D-15
|
|
2 2 2 1 -0.42395295580701D-14 0.21032658639877D-15
|
|
3 2 2 1 0.15420765174194D-16 0.12718075641327D-15
|
|
1 3 2 1 -0.11670817631275D-17 0.23275706196664D-15
|
|
2 3 2 1 0.21699384263364D-14 0.93546350549577D-18
|
|
3 3 2 1 -0.26962711852116D-18 -0.63583771255802D-16
|
|
1 4 2 1 0.10961863405143D-15 0.00000000000000D+00
|
|
2 4 2 1 0.32351202933155D+00 -0.11382129402682D-04
|
|
3 4 2 1 0.89903398307676D-15 0.00000000000000D+00
|
|
1 5 2 1 -0.26633515990814D-14 0.19155305120427D-15
|
|
2 5 2 1 -0.39286275176871D-14 -0.11720274273711D-14
|
|
3 5 2 1 -0.26962725688562D-18 -0.63924209968241D-16
|
|
1 1 3 1 -0.25306549666924D-15 0.00000000000000D+00
|
|
2 1 3 1 -0.57086707351543D-15 0.00000000000000D+00
|
|
3 1 3 1 0.23934076349905D+01 0.00000000000000D+00
|
|
1 2 3 1 -0.40779367188557D-14 0.24362600219354D-15
|
|
2 2 3 1 0.15420765174194D-16 0.12718075641327D-15
|
|
3 2 3 1 -0.42395295521154D-14 0.20023378341558D-15
|
|
1 3 3 1 -0.43047563843956D-14 0.12255947610171D-14
|
|
2 3 3 1 -0.26962711852116D-18 -0.63583771255802D-16
|
|
3 3 3 1 -0.39286282525667D-14 -0.11613853198760D-14
|
|
1 4 3 1 0.10717917887907D-15 0.00000000000000D+00
|
|
2 4 3 1 0.89903398307676D-15 0.00000000000000D+00
|
|
3 4 3 1 0.32351202933155D+00 -0.11382129402682D-04
|
|
1 5 3 1 -0.64882996607434D-18 0.53116442397398D-16
|
|
2 5 3 1 -0.26962725688562D-18 -0.63924209968241D-16
|
|
3 5 3 1 0.21699384261986D-14 0.11996119846851D-16
|
|
1 1 1 2 0.12447824630446D-13 0.39327159997545D-14
|
|
2 1 1 2 -0.42615710824319D-14 -0.31256628428150D-15
|
|
3 1 1 2 -0.40779367188557D-14 -0.24362600219354D-15
|
|
1 2 1 2 0.21979660513529D+02 0.00000000000000D+00
|
|
2 2 1 2 0.25491772513664D-15 0.00000000000000D+00
|
|
3 2 1 2 0.58289991602181D-15 0.00000000000000D+00
|
|
1 3 1 2 -0.42626317122966D+01 0.77169200209947D-04
|
|
2 3 1 2 0.79905191553516D-16 0.00000000000000D+00
|
|
3 3 1 2 -0.13126994811297D-15 0.00000000000000D+00
|
|
1 4 1 2 0.78802357293573D-14 0.16377408612898D-13
|
|
2 4 1 2 0.81297841960740D-17 -0.13606017326686D-15
|
|
3 4 1 2 0.51191688448710D-17 -0.37799427867638D-15
|
|
1 5 1 2 -0.42626317122967D+01 0.77169200209947D-04
|
|
2 5 1 2 -0.13133855778170D-15 0.00000000000000D+00
|
|
3 5 1 2 0.79905192993004D-16 0.00000000000000D+00
|
|
1 1 2 2 -0.42615710824319D-14 -0.31256628428150D-15
|
|
2 1 2 2 -0.42395295580701D-14 -0.21032658639877D-15
|
|
3 1 2 2 0.15420765174194D-16 -0.12718075641327D-15
|
|
1 2 2 2 0.25491772513664D-15 0.00000000000000D+00
|
|
2 2 2 2 0.62186701966789D+01 0.00000000000000D+00
|
|
3 2 2 2 -0.15086960240373D-15 0.00000000000000D+00
|
|
1 3 2 2 0.79905191553516D-16 0.00000000000000D+00
|
|
2 3 2 2 -0.33882940892791D+01 0.42343348128132D-04
|
|
3 3 2 2 -0.11109204416261D-14 0.00000000000000D+00
|
|
1 4 2 2 0.81297841960740D-17 -0.13606017326686D-15
|
|
2 4 2 2 0.53063185118398D-14 -0.26443566777684D-14
|
|
3 4 2 2 0.00000000000000D+00 -0.76715430699349D-16
|
|
1 5 2 2 -0.13133855778170D-15 0.00000000000000D+00
|
|
2 5 2 2 -0.30394611851009D+00 0.13014769182956D-03
|
|
3 5 2 2 -0.19021119896396D-15 0.00000000000000D+00
|
|
1 1 3 2 -0.40779367188557D-14 -0.24362600219354D-15
|
|
2 1 3 2 0.15420765174194D-16 -0.12718075641327D-15
|
|
3 1 3 2 -0.42395295521154D-14 -0.20023378341558D-15
|
|
1 2 3 2 0.58289991602181D-15 0.00000000000000D+00
|
|
2 2 3 2 -0.15086960240373D-15 0.00000000000000D+00
|
|
3 2 3 2 0.62186701966798D+01 0.00000000000000D+00
|
|
1 3 3 2 -0.13126994811297D-15 0.00000000000000D+00
|
|
2 3 3 2 -0.11109204416261D-14 0.00000000000000D+00
|
|
3 3 3 2 -0.30394611851009D+00 0.13014769182956D-03
|
|
1 4 3 2 0.51191688448710D-17 -0.37799427867638D-15
|
|
2 4 3 2 0.00000000000000D+00 -0.76715430699349D-16
|
|
3 4 3 2 0.53063185118408D-14 -0.26373790096505D-14
|
|
1 5 3 2 0.79905192993004D-16 0.00000000000000D+00
|
|
2 5 3 2 -0.19021119896396D-15 0.00000000000000D+00
|
|
3 5 3 2 -0.33882940892791D+01 0.42343348128132D-04
|
|
1 1 1 3 0.64886645011497D-14 0.31376783228784D-14
|
|
2 1 1 3 -0.11670817631275D-17 -0.23275706196664D-15
|
|
3 1 1 3 -0.43047563843956D-14 -0.12255947610171D-14
|
|
1 2 1 3 -0.42627185916678D+01 0.29548075613615D-04
|
|
2 2 1 3 0.79905191553516D-16 0.00000000000000D+00
|
|
3 2 1 3 -0.13126994811297D-15 0.00000000000000D+00
|
|
1 3 1 3 0.37143872221986D+01 0.00000000000000D+00
|
|
2 3 1 3 -0.49045234945808D-15 0.00000000000000D+00
|
|
3 3 1 3 -0.95043275865741D-16 0.00000000000000D+00
|
|
1 4 1 3 0.41004085040208D-14 0.19607736237726D-14
|
|
2 4 1 3 0.15980109594488D-14 -0.11493183072256D-15
|
|
3 4 1 3 0.38929797964460D-18 -0.31869865438439D-16
|
|
1 5 1 3 0.14726050547981D+01 0.00000000000000D+00
|
|
2 5 1 3 0.65767792299071D-16 0.00000000000000D+00
|
|
3 5 1 3 0.64307507327440D-16 0.00000000000000D+00
|
|
1 1 2 3 -0.11670817631275D-17 -0.23275706196664D-15
|
|
2 1 2 3 0.21699384263364D-14 -0.93546350549577D-18
|
|
3 1 2 3 -0.26962711852116D-18 0.63583771255802D-16
|
|
1 2 2 3 0.79905191553516D-16 0.00000000000000D+00
|
|
2 2 2 3 -0.33882940892735D+01 -0.42343348164333D-04
|
|
3 2 2 3 -0.11109204416261D-14 0.00000000000000D+00
|
|
1 3 2 3 -0.49045234945808D-15 0.00000000000000D+00
|
|
2 3 2 3 0.87184606840501D+01 0.00000000000000D+00
|
|
3 3 2 3 0.18855833248097D-16 0.00000000000000D+00
|
|
1 4 2 3 0.15980109594488D-14 -0.11493183072256D-15
|
|
2 4 2 3 -0.21392273320422D-14 0.70321693287867D-15
|
|
3 4 2 3 0.16177635413137D-18 0.38354525980945D-16
|
|
1 5 2 3 0.65771180430860D-16 0.00000000000000D+00
|
|
2 5 2 3 -0.22668187451356D+01 0.19215926076065D-06
|
|
3 5 2 3 0.53942038984606D-15 0.00000000000000D+00
|
|
1 1 3 3 -0.43047563843956D-14 -0.12255947610171D-14
|
|
2 1 3 3 -0.26962711852116D-18 0.63583771255802D-16
|
|
3 1 3 3 -0.39286282525667D-14 0.11613853198760D-14
|
|
1 2 3 3 -0.13127037162944D-15 0.00000000000000D+00
|
|
2 2 3 3 -0.11109204416261D-14 0.00000000000000D+00
|
|
3 2 3 3 -0.30394611851009D+00 -0.13014769182956D-03
|
|
1 3 3 3 -0.95043275865741D-16 0.00000000000000D+00
|
|
2 3 3 3 0.18855833248097D-16 0.00000000000000D+00
|
|
3 3 3 3 0.22523825391463D+01 0.00000000000000D+00
|
|
1 4 3 3 0.38929797964460D-18 -0.31869865438439D-16
|
|
2 4 3 3 0.16177635413137D-18 0.38354525980945D-16
|
|
3 4 3 3 0.13209397161075D-14 -0.71964013586897D-17
|
|
1 5 3 3 0.64304119195651D-16 0.00000000000000D+00
|
|
2 5 3 3 0.53942038984606D-15 0.00000000000000D+00
|
|
3 5 3 3 -0.22668187451356D+01 -0.19215926076065D-06
|
|
1 1 1 4 -0.36738124107045D+01 0.46142884788840D-04
|
|
2 1 1 4 0.10961863405143D-15 0.00000000000000D+00
|
|
3 1 1 4 0.10717917887907D-15 0.00000000000000D+00
|
|
1 2 1 4 0.78802357293573D-14 -0.16377408612898D-13
|
|
2 2 1 4 0.81297841960740D-17 0.13606017326686D-15
|
|
3 2 1 4 0.51191688448710D-17 0.37799427867638D-15
|
|
1 3 1 4 0.41004068099549D-14 -0.19607744708055D-14
|
|
2 3 1 4 0.15980109594488D-14 0.11493183072256D-15
|
|
3 3 1 4 0.38929797964460D-18 0.31869865438439D-16
|
|
1 4 1 4 0.20005827183315D+02 0.00000000000000D+00
|
|
2 4 1 4 -0.29619446400554D-15 0.00000000000000D+00
|
|
3 4 1 4 -0.23731191512624D-15 0.00000000000000D+00
|
|
1 5 1 4 0.38931989548045D-14 -0.18826060619908D-14
|
|
2 5 1 4 -0.70024905787648D-18 0.13965423717998D-15
|
|
3 5 1 4 0.34123505023385D-14 0.73535685661028D-15
|
|
1 1 2 4 0.10961863405143D-15 0.00000000000000D+00
|
|
2 1 2 4 0.32351202933158D+00 0.11382129385502D-04
|
|
3 1 2 4 0.89903398307676D-15 0.00000000000000D+00
|
|
1 2 2 4 0.81297841960740D-17 0.13606017326686D-15
|
|
2 2 2 4 0.53063185118398D-14 0.26443566777684D-14
|
|
3 2 2 4 0.00000000000000D+00 0.76715430699349D-16
|
|
1 3 2 4 0.15980109594488D-14 0.11493183072256D-15
|
|
2 3 2 4 -0.21392273320422D-14 -0.70321693287867D-15
|
|
3 3 2 4 0.16177635413137D-18 -0.38354525980945D-16
|
|
1 4 2 4 -0.29619446400554D-15 0.00000000000000D+00
|
|
2 4 2 4 0.27521146121430D+01 0.00000000000000D+00
|
|
3 4 2 4 -0.18015660905908D-15 0.00000000000000D+00
|
|
1 5 2 4 -0.70024905787648D-18 0.13965423717998D-15
|
|
2 5 2 4 0.13019655677839D-14 0.55958403740295D-18
|
|
3 5 2 4 -0.16177627111270D-18 -0.38150262753481D-16
|
|
1 1 3 4 0.10717917887907D-15 0.00000000000000D+00
|
|
2 1 3 4 0.89903398307676D-15 0.00000000000000D+00
|
|
3 1 3 4 0.32351202933157D+00 0.11382129385502D-04
|
|
1 2 3 4 0.51191688448710D-17 0.37799427867638D-15
|
|
2 2 3 4 0.00000000000000D+00 0.76715430699349D-16
|
|
3 2 3 4 0.53063185118408D-14 0.26373790096505D-14
|
|
1 3 3 4 0.38929797964460D-18 0.31869865438439D-16
|
|
2 3 3 4 0.16177635413137D-18 -0.38354525980945D-16
|
|
3 3 3 4 0.13209397161075D-14 0.71964013586897D-17
|
|
1 4 3 4 -0.23731191512624D-15 0.00000000000000D+00
|
|
2 4 3 4 -0.18015660905908D-15 0.00000000000000D+00
|
|
3 4 3 4 0.27521146121430D+01 0.00000000000000D+00
|
|
1 5 3 4 0.34123505023385D-14 0.73535685661028D-15
|
|
2 5 3 4 -0.16177627111270D-18 -0.38150262753481D-16
|
|
3 5 3 4 -0.23571767821337D-14 -0.69683170014536D-15
|
|
1 1 1 5 0.64886645220531D-14 0.32679590042363D-14
|
|
2 1 1 5 -0.26633515990814D-14 -0.19155305120427D-15
|
|
3 1 1 5 -0.64882996607434D-18 -0.53116442397398D-16
|
|
1 2 1 5 -0.42627185916679D+01 0.29548075613615D-04
|
|
2 2 1 5 -0.13133855778170D-15 0.00000000000000D+00
|
|
3 2 1 5 0.79905192993004D-16 0.00000000000000D+00
|
|
1 3 1 5 0.14726050547981D+01 0.00000000000000D+00
|
|
2 3 1 5 0.65771180430860D-16 0.00000000000000D+00
|
|
3 3 1 5 0.64304119195651D-16 0.00000000000000D+00
|
|
1 4 1 5 0.38932006488703D-14 0.18826052149578D-14
|
|
2 4 1 5 -0.70024905787648D-18 -0.13965423717998D-15
|
|
3 4 1 5 0.34123505023385D-14 -0.73535685661028D-15
|
|
1 5 1 5 0.37143872221977D+01 0.00000000000000D+00
|
|
2 5 1 5 -0.46993981366141D-16 0.00000000000000D+00
|
|
3 5 1 5 -0.56915505314637D-15 0.00000000000000D+00
|
|
1 1 2 5 -0.26633515990814D-14 -0.19155305120427D-15
|
|
2 1 2 5 -0.39286275176871D-14 0.11720274273711D-14
|
|
3 1 2 5 -0.26962725688562D-18 0.63924209968241D-16
|
|
1 2 2 5 -0.13133898129817D-15 0.00000000000000D+00
|
|
2 2 2 5 -0.30394611851009D+00 -0.13014769182956D-03
|
|
3 2 2 5 -0.19021119896396D-15 0.00000000000000D+00
|
|
1 3 2 5 0.65767792299071D-16 0.00000000000000D+00
|
|
2 3 2 5 -0.22668187451356D+01 -0.19215926076065D-06
|
|
3 3 2 5 0.53942038984606D-15 0.00000000000000D+00
|
|
1 4 2 5 -0.70024905787648D-18 -0.13965423717998D-15
|
|
2 4 2 5 0.13019655677839D-14 -0.55958403740295D-18
|
|
3 4 2 5 -0.16177627111270D-18 0.38150262753481D-16
|
|
1 5 2 5 -0.46993981366140D-16 0.00000000000000D+00
|
|
2 5 2 5 0.22523825391481D+01 0.00000000000000D+00
|
|
3 5 2 5 0.47947983235422D-15 0.00000000000000D+00
|
|
1 1 3 5 -0.64882996607434D-18 -0.53116442397398D-16
|
|
2 1 3 5 -0.26962725688562D-18 0.63924209968241D-16
|
|
3 1 3 5 0.21699384261986D-14 -0.11996119846851D-16
|
|
1 2 3 5 0.79905192993004D-16 0.00000000000000D+00
|
|
2 2 3 5 -0.19021119896396D-15 0.00000000000000D+00
|
|
3 2 3 5 -0.33882940892735D+01 -0.42343348164333D-04
|
|
1 3 3 5 0.64307507327440D-16 0.00000000000000D+00
|
|
2 3 3 5 0.53942038984606D-15 0.00000000000000D+00
|
|
3 3 3 5 -0.22668187451356D+01 0.19215926076065D-06
|
|
1 4 3 5 0.34123505023385D-14 -0.73535685661028D-15
|
|
2 4 3 5 -0.16177627111270D-18 0.38150262753481D-16
|
|
3 4 3 5 -0.23571767821337D-14 0.69683170014536D-15
|
|
1 5 3 5 -0.56915505314637D-15 0.00000000000000D+00
|
|
2 5 3 5 0.47947983235422D-15 0.00000000000000D+00
|
|
3 5 3 5 0.87184606840501D+01 0.00000000000000D+00
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 2.50000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.43355942129725D+01 0.21552994994376D-16
|
|
2 1 1 1 0.76648471414125D+00 0.00000000000000D+00
|
|
3 1 1 1 0.11516587866738D-15 0.00000000000000D+00
|
|
1 2 1 1 0.39120920508567D-04 0.24324722280924D+00
|
|
2 2 1 1 -0.14623854712161D-04 0.43471667507675D+01
|
|
3 2 1 1 -0.21516829364152D-14 0.24055115294826D-14
|
|
1 3 1 1 -0.17910528176547D+00 -0.17906266306311D+00
|
|
2 3 1 1 -0.10436031711682D+01 -0.10437373226888D+01
|
|
3 3 1 1 -0.37997872901219D-15 0.51958392959496D-14
|
|
1 4 1 1 -0.14002363430982D+01 -0.14002889610246D+01
|
|
2 4 1 1 -0.43339027283374D+00 -0.43335853620982D+00
|
|
3 4 1 1 -0.10839067285774D-15 0.49596790002401D-15
|
|
1 5 1 1 0.78479144317154D-04 -0.29647619302049D+00
|
|
2 5 1 1 -0.33511148625182D-04 -0.11533461307416D+01
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|
3 5 1 1 -0.66049826754614D-18 -0.12679060230040D-14
|
|
1 1 2 1 0.76648471414125D+00 0.00000000000000D+00
|
|
2 1 2 1 0.43355942129723D+01 -0.42976787597720D-16
|
|
3 1 2 1 -0.38730890435970D-14 0.20910893565283D-19
|
|
1 2 2 1 -0.14623854712161D-04 0.43471667507675D+01
|
|
2 2 2 1 0.39120920508527D-04 0.24324722280921D+00
|
|
3 2 2 1 -0.19636499534610D-14 0.61706386852482D-14
|
|
1 3 2 1 -0.43339027283374D+00 -0.43335853620983D+00
|
|
2 3 2 1 -0.14002363430982D+01 -0.14002889610246D+01
|
|
3 3 2 1 -0.91297347066091D-15 -0.46014715987378D-15
|
|
1 4 2 1 -0.10436031711682D+01 -0.10437373226888D+01
|
|
2 4 2 1 -0.17910528176547D+00 -0.17906266306311D+00
|
|
3 4 2 1 0.43205568604621D-14 0.98961612741338D-14
|
|
1 5 2 1 -0.33511148625182D-04 -0.11533461307416D+01
|
|
2 5 2 1 0.78479144317543D-04 -0.29647619302049D+00
|
|
3 5 2 1 -0.73973218424829D-19 -0.16898806713418D-14
|
|
1 1 3 1 0.11516587866738D-15 0.00000000000000D+00
|
|
2 1 3 1 -0.38730890435970D-14 0.20910893565283D-19
|
|
3 1 3 1 0.24015108335410D+01 0.17889036647509D-17
|
|
1 2 3 1 -0.21516829364152D-14 0.24055115294826D-14
|
|
2 2 3 1 -0.19636499534610D-14 0.61706386852482D-14
|
|
3 2 3 1 -0.11319442571283D-04 -0.11324476302788D+01
|
|
1 3 3 1 -0.37997872901219D-15 0.51958392959496D-14
|
|
2 3 3 1 -0.91297347066091D-15 -0.46014715987378D-15
|
|
3 3 3 1 0.14509616965242D+00 0.14511154163890D+00
|
|
1 4 3 1 -0.10839067285774D-15 0.49596790002401D-15
|
|
2 4 3 1 0.43205568604621D-14 0.98961612741338D-14
|
|
3 4 3 1 0.14509616965242D+00 0.14511154163890D+00
|
|
1 5 3 1 -0.66049826754614D-18 -0.12679060230040D-14
|
|
2 5 3 1 -0.73973218424829D-19 -0.16898806713418D-14
|
|
3 5 3 1 0.68167719502515D-04 -0.38254997226197D+00
|
|
1 1 1 2 0.39120920999459D-04 -0.24324722281168D+00
|
|
2 1 1 2 -0.14623854712161D-04 -0.43471667507675D+01
|
|
3 1 1 2 -0.21516829364152D-14 -0.24055115294826D-14
|
|
1 2 1 2 0.15729621481839D+02 0.31036312791901D-16
|
|
2 2 1 2 0.31906828859150D+01 0.00000000000000D+00
|
|
3 2 1 2 0.11131530965066D-14 0.00000000000000D+00
|
|
1 3 1 2 -0.14907839510073D+01 0.14907565186717D+01
|
|
2 3 1 2 -0.23094995470325D+01 0.23098763688945D+01
|
|
3 3 1 2 -0.45308643739139D-15 -0.23981410215228D-15
|
|
1 4 1 2 -0.40491727652611D+01 0.40491157659779D+01
|
|
2 4 1 2 -0.82762835791347D+00 0.82772235666622D+00
|
|
3 4 1 2 -0.24317912394482D-14 0.41812669365193D-14
|
|
1 5 1 2 -0.25716749423960D+01 0.59899418420929D-04
|
|
2 5 1 2 -0.94370955861997D+00 -0.96166101991802D-04
|
|
3 5 1 2 -0.47638926612758D-15 -0.31980301191933D-15
|
|
1 1 2 2 -0.14623854712161D-04 -0.43471667507675D+01
|
|
2 1 2 2 0.39120920999419D-04 -0.24324722281166D+00
|
|
3 1 2 2 -0.19636499534610D-14 -0.61706386852482D-14
|
|
1 2 2 2 0.31906828859150D+01 0.00000000000000D+00
|
|
2 2 2 2 0.15729621481840D+02 -0.61886574140717D-16
|
|
3 2 2 2 -0.49060692393212D-14 -0.91861057670611D-19
|
|
1 3 2 2 -0.82762835791347D+00 0.82772235666622D+00
|
|
2 3 2 2 -0.40491727652612D+01 0.40491157659779D+01
|
|
3 3 2 2 -0.92908336893953D-14 0.11828748316348D-13
|
|
1 4 2 2 -0.23094995470325D+01 0.23098763688945D+01
|
|
2 4 2 2 -0.14907839510073D+01 0.14907565186717D+01
|
|
3 4 2 2 0.54534449639854D-15 0.31108425936687D-15
|
|
1 5 2 2 -0.94370955861997D+00 -0.96166101991802D-04
|
|
2 5 2 2 -0.25716749423960D+01 0.59899418420924D-04
|
|
3 5 2 2 0.19074012572268D-14 -0.33316266208222D-15
|
|
1 1 3 2 -0.21516829364152D-14 -0.24055115294826D-14
|
|
2 1 3 2 -0.19636499534610D-14 -0.61706386852482D-14
|
|
3 1 3 2 -0.11319442544374D-04 0.11324476302759D+01
|
|
1 2 3 2 0.11131530965066D-14 0.00000000000000D+00
|
|
2 2 3 2 -0.49060692393212D-14 -0.91861057670611D-19
|
|
3 2 3 2 0.62262843158196D+01 0.25760212772413D-17
|
|
1 3 3 2 -0.45308643739139D-15 -0.23981410215228D-15
|
|
2 3 3 2 -0.92908336893953D-14 0.11828748316348D-13
|
|
3 3 3 2 -0.16125439166608D+00 0.16121743441418D+00
|
|
1 4 3 2 -0.24317912394482D-14 0.41812669365193D-14
|
|
2 4 3 2 0.54534449639854D-15 0.31108425936687D-15
|
|
3 4 3 2 -0.16125439166609D+00 0.16121743441418D+00
|
|
1 5 3 2 -0.47638926612758D-15 -0.31980301191933D-15
|
|
2 5 3 2 0.19074012572268D-14 -0.33316266208222D-15
|
|
3 5 3 2 -0.33858424138404D+01 -0.10570090792832D-03
|
|
1 1 1 3 -0.17910528176483D+00 0.17906266306377D+00
|
|
2 1 1 3 -0.43339027283374D+00 0.43335853620983D+00
|
|
3 1 1 3 -0.37997872901219D-15 -0.51958392959496D-14
|
|
1 2 1 3 -0.14907839510092D+01 -0.14907565186715D+01
|
|
2 2 1 3 -0.82762835791347D+00 -0.82772235666622D+00
|
|
3 2 1 3 -0.45308643739139D-15 0.23981410215228D-15
|
|
1 3 1 3 0.31078391880219D+01 -0.17959105720752D-15
|
|
2 3 1 3 0.85881051937248D+00 -0.18684287485565D-03
|
|
3 3 1 3 0.37520019255309D-16 -0.13038954470236D-15
|
|
1 4 1 3 -0.33597402256729D+00 0.32861965828001D-05
|
|
2 4 1 3 0.18188818438648D+01 0.10348168199828D-15
|
|
3 4 1 3 -0.76090305069426D-15 -0.74099563714781D-17
|
|
1 5 1 3 0.53947021450536D+00 0.53944635395787D+00
|
|
2 5 1 3 0.30309209952128D+00 0.30311630639542D+00
|
|
3 5 1 3 0.70095443114637D-15 -0.20397118497739D-15
|
|
1 1 2 3 -0.10436031711657D+01 0.10437373226869D+01
|
|
2 1 2 3 -0.14002363430982D+01 0.14002889610246D+01
|
|
3 1 2 3 -0.91297347066091D-15 0.46014715987378D-15
|
|
1 2 2 3 -0.23094995470272D+01 -0.23098763688944D+01
|
|
2 2 2 3 -0.40491727652612D+01 -0.40491157659779D+01
|
|
3 2 2 3 -0.92908336893953D-14 -0.11828748316348D-13
|
|
1 3 2 3 0.85881051937431D+00 0.18684287433613D-03
|
|
2 3 2 3 0.15253548036846D+02 -0.15471643535179D-16
|
|
3 3 2 3 -0.11699440759813D-14 0.92232350471815D-18
|
|
1 4 2 3 0.42985469891126D+01 0.10348168199828D-15
|
|
2 4 2 3 -0.33597402256729D+00 -0.32861965825881D-05
|
|
3 4 2 3 -0.10135999487198D-14 0.21511587177095D-16
|
|
1 5 2 3 0.54912953409388D+00 0.54923341663122D+00
|
|
2 5 2 3 -0.51557507413041D+00 -0.51555605614631D+00
|
|
3 5 2 3 0.55899362827652D-14 0.39392953201550D-14
|
|
1 1 3 3 -0.37997872901219D-15 -0.51958392959496D-14
|
|
2 1 3 3 -0.91297347066091D-15 0.46014715987378D-15
|
|
3 1 3 3 0.14508025687789D+00 -0.14512132680754D+00
|
|
1 2 3 3 -0.45308643739139D-15 0.23981410215228D-15
|
|
2 2 3 3 -0.92908336893953D-14 -0.11828748316348D-13
|
|
3 2 3 3 -0.16134072479701D+00 -0.16135383305913D+00
|
|
1 3 3 3 0.37520019255309D-16 -0.13038954470236D-15
|
|
2 3 3 3 -0.11699440759813D-14 0.92232350471815D-18
|
|
3 3 3 3 0.25176852240279D+01 -0.15157797969765D-15
|
|
1 4 3 3 -0.76090305069426D-15 -0.74099563714781D-17
|
|
2 4 3 3 -0.10135999487198D-14 0.21511587177095D-16
|
|
3 4 3 3 0.16575297735889D+00 -0.28699840550180D-16
|
|
1 5 3 3 0.70095443114637D-15 -0.20397118497739D-15
|
|
2 5 3 3 0.55899362827652D-14 0.39392953201550D-14
|
|
3 5 3 3 -0.11050218207876D+01 -0.11050086143800D+01
|
|
1 1 1 4 -0.14002363430982D+01 0.14002889610246D+01
|
|
2 1 1 4 -0.10436031711657D+01 0.10437373226869D+01
|
|
3 1 1 4 -0.10839067285774D-15 -0.49596790002401D-15
|
|
1 2 1 4 -0.40491727652611D+01 -0.40491157659779D+01
|
|
2 2 1 4 -0.23094995470272D+01 -0.23098763688944D+01
|
|
3 2 1 4 -0.24317912394482D-14 -0.41812669365193D-14
|
|
1 3 1 4 -0.33597402256729D+00 -0.32861965828001D-05
|
|
2 3 1 4 0.42985469891126D+01 -0.10348168199828D-15
|
|
3 3 1 4 -0.76090305069426D-15 0.74099563714781D-17
|
|
1 4 1 4 0.15253548036848D+02 -0.23465944369607D-16
|
|
2 4 1 4 0.85881051937431D+00 0.18684287433613D-03
|
|
3 4 1 4 -0.10474862000499D-15 0.91411464921268D-18
|
|
1 5 1 4 -0.51557507413041D+00 -0.51555605614631D+00
|
|
2 5 1 4 0.54912953409388D+00 0.54923341663122D+00
|
|
3 5 1 4 0.37688156512432D-14 0.11191021332445D-14
|
|
1 1 2 4 -0.43339027283374D+00 0.43335853620982D+00
|
|
2 1 2 4 -0.17910528176483D+00 0.17906266306377D+00
|
|
3 1 2 4 0.43205568604621D-14 -0.98961612741338D-14
|
|
1 2 2 4 -0.82762835791347D+00 -0.82772235666622D+00
|
|
2 2 2 4 -0.14907839510092D+01 -0.14907565186715D+01
|
|
3 2 2 4 0.54534449639854D-15 -0.31108425936687D-15
|
|
1 3 2 4 0.18188818438648D+01 -0.10348168199828D-15
|
|
2 3 2 4 -0.33597402256729D+00 0.32861965825881D-05
|
|
3 3 2 4 -0.10135999487198D-14 -0.21511587177095D-16
|
|
1 4 2 4 0.85881051937248D+00 -0.18684287485565D-03
|
|
2 4 2 4 0.31078391880192D+01 -0.17159675637309D-15
|
|
3 4 2 4 -0.13689565182886D-14 -0.13038133584685D-15
|
|
1 5 2 4 0.30309209952128D+00 0.30311630639542D+00
|
|
2 5 2 4 0.53947021450535D+00 0.53944635395786D+00
|
|
3 5 2 4 0.51776981272220D-15 -0.28389455156617D-15
|
|
1 1 3 4 -0.10839067285774D-15 -0.49596790002401D-15
|
|
2 1 3 4 0.43205568604621D-14 -0.98961612741338D-14
|
|
3 1 3 4 0.14508025687789D+00 -0.14512132680754D+00
|
|
1 2 3 4 -0.24317912394482D-14 -0.41812669365193D-14
|
|
2 2 3 4 0.54534449639854D-15 -0.31108425936687D-15
|
|
3 2 3 4 -0.16134072479702D+00 -0.16135383305913D+00
|
|
1 3 3 4 -0.76090305069426D-15 0.74099563714781D-17
|
|
2 3 3 4 -0.10135999487198D-14 -0.21511587177095D-16
|
|
3 3 3 4 0.16575297735889D+00 0.28699840550180D-16
|
|
1 4 3 4 -0.10474862000499D-15 0.91411464921268D-18
|
|
2 4 3 4 -0.13689565182886D-14 -0.13038133584685D-15
|
|
3 4 3 4 0.25176852240302D+01 -0.15157797969765D-15
|
|
1 5 3 4 0.37688156512432D-14 0.11191021332445D-14
|
|
2 5 3 4 0.51776981272220D-15 -0.28389455156617D-15
|
|
3 5 3 4 -0.11050218207876D+01 -0.11050086143800D+01
|
|
1 1 1 5 0.78479145235783D-04 0.29647619302215D+00
|
|
2 1 1 5 -0.33511148625182D-04 0.11533461307416D+01
|
|
3 1 1 5 -0.66049826754614D-18 0.12679060230040D-14
|
|
1 2 1 5 -0.25716749426734D+01 -0.59899418260744D-04
|
|
2 2 1 5 -0.94370955861997D+00 0.96166101991802D-04
|
|
3 2 1 5 -0.47638926612758D-15 0.31980301191933D-15
|
|
1 3 1 5 0.53947021450092D+00 -0.53944635395364D+00
|
|
2 3 1 5 0.54912953409093D+00 -0.54923341662857D+00
|
|
3 3 1 5 0.70095443114637D-15 0.20397118497739D-15
|
|
1 4 1 5 -0.51557507413041D+00 0.51555605614631D+00
|
|
2 4 1 5 0.30309209952128D+00 -0.30311630639542D+00
|
|
3 4 1 5 0.37688156512432D-14 -0.11191021332445D-14
|
|
1 5 1 5 0.27930893716903D+01 0.77590781979753D-17
|
|
2 5 1 5 0.51413174903543D+00 0.00000000000000D+00
|
|
3 5 1 5 -0.43659175802521D-15 0.00000000000000D+00
|
|
1 1 2 5 -0.33511148625182D-04 0.11533461307416D+01
|
|
2 1 2 5 0.78479145236173D-04 0.29647619302215D+00
|
|
3 1 2 5 -0.73973218424829D-19 0.16898806713418D-14
|
|
1 2 2 5 -0.94370955861997D+00 0.96166101991802D-04
|
|
2 2 2 5 -0.25716749426734D+01 -0.59899418260739D-04
|
|
3 2 2 5 0.19074012572268D-14 0.33316266208222D-15
|
|
1 3 2 5 0.30309209952128D+00 -0.30311630639542D+00
|
|
2 3 2 5 -0.51557507413041D+00 0.51555605614631D+00
|
|
3 3 2 5 0.55899362827652D-14 -0.39392953201550D-14
|
|
1 4 2 5 0.54912953409093D+00 -0.54923341662857D+00
|
|
2 4 2 5 0.53947021450090D+00 -0.53944635395363D+00
|
|
3 4 2 5 0.51776981272220D-15 0.28389455156617D-15
|
|
1 5 2 5 0.51413174903543D+00 0.00000000000000D+00
|
|
2 5 2 5 0.27930893716884D+01 -0.15471643535179D-16
|
|
3 5 2 5 -0.70932007687515D-15 0.00000000000000D+00
|
|
1 1 3 5 -0.66049826754614D-18 0.12679060230040D-14
|
|
2 1 3 5 -0.73973218424829D-19 0.16898806713418D-14
|
|
3 1 3 5 0.68167719430072D-04 0.38254997226344D+00
|
|
1 2 3 5 -0.47638926612758D-15 0.31980301191933D-15
|
|
2 2 3 5 0.19074012572268D-14 0.33316266208222D-15
|
|
3 2 3 5 -0.33858424138435D+01 0.10570090773794D-03
|
|
1 3 3 5 0.70095443114637D-15 0.20397118497739D-15
|
|
2 3 3 5 0.55899362827652D-14 -0.39392953201550D-14
|
|
3 3 3 5 -0.11050137780126D+01 0.11050060786422D+01
|
|
1 4 3 5 0.37688156512432D-14 -0.11191021332445D-14
|
|
2 4 3 5 0.51776981272220D-15 0.28389455156617D-15
|
|
3 4 3 5 -0.11050137780126D+01 0.11050060786422D+01
|
|
1 5 3 5 -0.43659175802521D-15 0.00000000000000D+00
|
|
2 5 3 5 -0.70932007687515D-15 0.00000000000000D+00
|
|
3 5 3 5 0.87253580838042D+01 0.64400531931033D-18
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 5.00000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.55842096846454D+01 -0.26704801123958D-17
|
|
2 1 1 1 -0.18838973487690D-14 0.00000000000000D+00
|
|
3 1 1 1 -0.91163355128484D-15 0.00000000000000D+00
|
|
1 2 1 1 0.10366153918175D-13 0.11463279279085D-13
|
|
2 2 1 1 -0.35823082745827D+01 0.35823953851378D+01
|
|
3 2 1 1 -0.49895915896691D-14 -0.62092128190833D-15
|
|
1 3 1 1 0.48231709601537D-14 -0.10155447368568D-14
|
|
2 3 1 1 -0.26980762296836D-04 -0.12854180890172D+01
|
|
3 3 1 1 -0.28105050762231D-14 -0.79470526659178D-14
|
|
1 4 1 1 -0.16046288792555D+01 -0.16046509905520D+01
|
|
2 4 1 1 -0.56204461025237D-15 -0.55009705722144D-15
|
|
3 4 1 1 -0.16360031447467D-15 -0.83661693047733D-16
|
|
1 5 1 1 0.56562043530706D-14 0.49274222216736D-14
|
|
2 5 1 1 0.81080549078586D+00 -0.81078698773897D+00
|
|
3 5 1 1 0.43575532020223D-15 -0.55658178248869D-15
|
|
1 1 2 1 -0.18838973487690D-14 0.00000000000000D+00
|
|
2 1 2 1 0.35711326566371D+01 0.16815621079773D-16
|
|
3 1 2 1 -0.10071269451694D-14 0.16353829254310D-19
|
|
1 2 2 1 -0.32006718554244D+01 0.32007454933761D+01
|
|
2 2 2 1 -0.13251977050847D-14 0.37271076101450D-14
|
|
3 2 2 1 0.84808763659606D-15 0.61671989114221D-15
|
|
1 3 2 1 -0.51016651962153D-04 -0.44003429158465D+00
|
|
2 3 2 1 0.38346394482871D-14 0.79968661930492D-15
|
|
3 3 2 1 0.00000000000000D+00 0.11898976500568D-15
|
|
1 4 2 1 -0.56204461025237D-15 -0.55009705722144D-15
|
|
2 4 2 1 0.78704254473502D-01 0.78733306001714D-01
|
|
3 4 2 1 -0.73417360035232D-14 -0.37313574763880D-14
|
|
1 5 2 1 0.80774650752162D+00 -0.80765584934422D+00
|
|
2 5 2 1 -0.14304082377653D-14 0.33880127011201D-15
|
|
3 5 2 1 -0.26454390740380D-15 -0.25477828748929D-15
|
|
1 1 3 1 -0.91163355128484D-15 0.00000000000000D+00
|
|
2 1 3 1 -0.10071269451694D-14 0.16353829254310D-19
|
|
3 1 3 1 0.23549078731720D+01 -0.17344004649861D-17
|
|
1 2 3 1 -0.49895915896691D-14 -0.62092128190833D-15
|
|
2 2 3 1 0.84808678956311D-15 0.61671989114221D-15
|
|
3 2 3 1 -0.23660321685277D-14 0.22699361685602D-14
|
|
1 3 3 1 -0.28105050762231D-14 -0.79470526659178D-14
|
|
2 3 3 1 0.00000000000000D+00 0.11898891797274D-15
|
|
3 3 3 1 -0.30962159413882D-14 -0.10480658307330D-14
|
|
1 4 3 1 -0.16360031447467D-15 -0.83661693047733D-16
|
|
2 4 3 1 -0.73417360035232D-14 -0.37313574763880D-14
|
|
3 4 3 1 0.15953600335391D+00 0.15948513559466D+00
|
|
1 5 3 1 0.43575532020223D-15 -0.55658178248869D-15
|
|
2 5 3 1 -0.26454390740380D-15 -0.25477828748929D-15
|
|
3 5 3 1 0.17552366930209D-14 0.23771145375749D-14
|
|
1 1 1 2 0.10366153918175D-13 -0.11463279279085D-13
|
|
2 1 1 2 -0.32006718554235D+01 -0.32007454933769D+01
|
|
3 1 1 2 -0.49895915896691D-14 0.62092128190833D-15
|
|
1 2 1 2 0.20745620998603D+02 0.26893127050921D-14
|
|
2 2 1 2 -0.19172777930135D-14 0.18692933759934D-14
|
|
3 2 1 2 -0.36543808262465D-15 0.19771772559500D-14
|
|
1 3 1 2 -0.19912872322249D+01 0.19913469785667D+01
|
|
2 3 1 2 -0.56306861487754D-15 0.81000032831464D-15
|
|
3 3 1 2 0.14201220662954D-15 -0.10228498753784D-15
|
|
1 4 1 2 0.78821839808612D-14 0.13502688246837D-13
|
|
2 4 1 2 -0.27910520148708D-04 0.57712183185654D+00
|
|
3 4 1 2 -0.58766691403308D-16 -0.99559152638094D-14
|
|
1 5 1 2 -0.35786379462607D+01 0.23627234226009D-04
|
|
2 5 1 2 -0.13387990513641D-14 -0.14900054863927D-15
|
|
3 5 1 2 0.55609352454472D-15 0.00000000000000D+00
|
|
1 1 2 2 -0.35823082745858D+01 -0.35823953851408D+01
|
|
2 1 2 2 -0.13251977050847D-14 -0.37271076101450D-14
|
|
3 1 2 2 0.84808763659606D-15 -0.61671989114221D-15
|
|
1 2 2 2 -0.19172777930135D-14 0.18692933759934D-14
|
|
2 2 2 2 0.13802013483011D+02 0.30218166608428D-14
|
|
3 2 2 2 -0.77908381758540D-15 0.22119992692919D-14
|
|
1 3 2 2 -0.56306861487754D-15 0.81000032831464D-15
|
|
2 3 2 2 -0.30738091983855D+01 0.30737859671810D+01
|
|
3 3 2 2 0.35553694355222D-14 -0.42295955306386D-14
|
|
1 4 2 2 0.59111188596122D-06 0.27145014051367D+01
|
|
2 4 2 2 0.53131636832235D-14 -0.33709456362074D-14
|
|
3 4 2 2 0.00000000000000D+00 0.14350558493552D-15
|
|
1 5 2 2 -0.13387990513641D-14 -0.14900054863927D-15
|
|
2 5 2 2 -0.18009207319303D+01 0.12517594640146D-03
|
|
3 5 2 2 -0.24464553983575D-15 -0.28992299571034D-15
|
|
1 1 3 2 -0.49895915896691D-14 0.62092128190833D-15
|
|
2 1 3 2 0.84808848362901D-15 -0.61671989114221D-15
|
|
3 1 3 2 -0.23660321685277D-14 -0.22699361685602D-14
|
|
1 2 3 2 -0.36543808262465D-15 0.19771772559500D-14
|
|
2 2 3 2 -0.77908381758540D-15 0.22119992692919D-14
|
|
3 2 3 2 0.62103541698261D+01 0.27374981936358D-14
|
|
1 3 3 2 0.14201220662954D-15 -0.10228498753784D-15
|
|
2 3 3 2 0.35553694355222D-14 -0.42295955306386D-14
|
|
3 3 3 2 -0.15792752728411D+00 0.15797059307994D+00
|
|
1 4 3 2 -0.58766691403308D-16 -0.99559152638094D-14
|
|
2 4 3 2 0.00000000000000D+00 0.14350537317728D-15
|
|
3 4 3 2 0.53063193050731D-14 -0.25114206470348D-14
|
|
1 5 3 2 0.55609352454472D-15 0.00000000000000D+00
|
|
2 5 3 2 -0.24464553983575D-15 -0.28992299571034D-15
|
|
3 5 3 2 -0.33922375260389D+01 -0.48496097642750D-04
|
|
1 1 1 3 0.48231709601537D-14 0.10155447368568D-14
|
|
2 1 1 3 -0.51016651564176D-04 0.44003429158510D+00
|
|
3 1 1 3 -0.28105050762231D-14 0.79470526659178D-14
|
|
1 2 1 3 -0.19912872322268D+01 -0.19913469785734D+01
|
|
2 2 1 3 -0.56306861487754D-15 -0.81000032831464D-15
|
|
3 2 1 3 0.14201220662954D-15 0.10228498753784D-15
|
|
1 3 1 3 0.35044566059260D+01 -0.96137284046251D-18
|
|
2 3 1 3 -0.10335012289956D-14 0.00000000000000D+00
|
|
3 3 1 3 -0.33212777552749D-15 0.00000000000000D+00
|
|
1 4 1 3 0.31010875032219D-14 0.35383513610492D-14
|
|
2 4 1 3 0.15572256789019D+01 -0.15572209723502D+01
|
|
3 4 1 3 -0.29658134220089D-15 0.29262819112428D-15
|
|
1 5 1 3 0.67033095271940D+00 0.67031463822937D+00
|
|
2 5 1 3 -0.41333775865991D-15 -0.22760112903298D-15
|
|
3 5 1 3 -0.40589053325821D-16 -0.84837275239551D-16
|
|
1 1 2 3 -0.26980763047079D-04 0.12854180890138D+01
|
|
2 1 2 3 0.38346394482871D-14 -0.79968661930492D-15
|
|
3 1 2 3 0.00000000000000D+00 -0.11898976500568D-15
|
|
1 2 2 3 -0.56306861487754D-15 -0.81000032831464D-15
|
|
2 2 2 3 -0.30738091983930D+01 -0.30737859671754D+01
|
|
3 2 2 3 0.35553694355222D-14 0.42295955306386D-14
|
|
1 3 2 3 -0.10335012289956D-14 0.00000000000000D+00
|
|
2 3 2 3 0.14038207065972D+02 0.60536235887183D-17
|
|
3 3 2 3 -0.13819772054732D-15 0.00000000000000D+00
|
|
1 4 2 3 0.30653853410092D+01 -0.30654368132027D+01
|
|
2 4 2 3 -0.16397487312308D-14 0.12955160860124D-14
|
|
3 4 2 3 0.57732912075256D-16 0.48458303283222D-16
|
|
1 5 2 3 -0.41333775865991D-15 -0.22760112903298D-15
|
|
2 5 2 3 -0.87418213968317D+00 -0.87409933924853D+00
|
|
3 5 2 3 -0.40823871346337D-15 -0.42372159301581D-14
|
|
1 1 3 3 -0.28105050762231D-14 0.79470526659178D-14
|
|
2 1 3 3 0.00000000000000D+00 -0.11898976500568D-15
|
|
3 1 3 3 -0.30962159413882D-14 0.10480658307330D-14
|
|
1 2 3 3 0.14201220662954D-15 0.10228498753784D-15
|
|
2 2 3 3 0.35553694355222D-14 0.42295955306386D-14
|
|
3 2 3 3 -0.15792752728451D+00 -0.15797059307999D+00
|
|
1 3 3 3 -0.33212777552749D-15 0.00000000000000D+00
|
|
2 3 3 3 -0.13819772054732D-15 0.00000000000000D+00
|
|
3 3 3 3 0.26694525432426D+01 -0.62438416739498D-18
|
|
1 4 3 3 -0.29658134220089D-15 0.29262819112428D-15
|
|
2 4 3 3 0.57732912075256D-16 0.48458515041459D-16
|
|
3 4 3 3 0.13199580052578D-14 0.18211336244836D-14
|
|
1 5 3 3 -0.40589053325821D-16 -0.84837275239551D-16
|
|
2 5 3 3 -0.40823871346337D-15 -0.42372159301581D-14
|
|
3 5 3 3 -0.11109386328497D+01 -0.11109303599105D+01
|
|
1 1 1 4 -0.16046288792564D+01 0.16046509905533D+01
|
|
2 1 1 4 -0.56204461025237D-15 0.55009705722144D-15
|
|
3 1 1 4 -0.16360031447467D-15 0.83661693047733D-16
|
|
1 2 1 4 0.78821839808612D-14 -0.13502688246837D-13
|
|
2 2 1 4 0.59111092489966D-06 -0.27145014051393D+01
|
|
3 2 1 4 -0.58766691403308D-16 0.99559152638094D-14
|
|
1 3 1 4 0.31010875032219D-14 -0.35383513610492D-14
|
|
2 3 1 4 0.30653853410098D+01 0.30654368132030D+01
|
|
3 3 1 4 -0.29658134220089D-15 -0.29262819112428D-15
|
|
1 4 1 4 0.18697699603372D+02 -0.24380139766149D-16
|
|
2 4 1 4 -0.83924334354301D-15 0.00000000000000D+00
|
|
3 4 1 4 -0.47439641478779D-15 0.00000000000000D+00
|
|
1 5 1 4 0.28939012208442D-14 -0.60933023024584D-15
|
|
2 5 1 4 -0.85168916051409D-04 0.39991432772251D+00
|
|
3 5 1 4 0.23104998429167D-14 -0.47682315995507D-14
|
|
1 1 2 4 -0.56204461025237D-15 0.55009705722144D-15
|
|
2 1 2 4 0.78704254478010D-01 -0.78733306000681D-01
|
|
3 1 2 4 -0.73417360035232D-14 0.37313574763880D-14
|
|
1 2 2 4 -0.27910529334899D-04 -0.57712183185281D+00
|
|
2 2 2 4 0.53131636832235D-14 0.33709456362074D-14
|
|
3 2 2 4 0.00000000000000D+00 -0.14350558493552D-15
|
|
1 3 2 4 0.15572256788996D+01 0.15572209723503D+01
|
|
2 3 2 4 -0.16397487312308D-14 -0.12955160860124D-14
|
|
3 3 2 4 0.57732912075256D-16 -0.48458303283222D-16
|
|
1 4 2 4 -0.83924334354301D-15 0.00000000000000D+00
|
|
2 4 2 4 0.30634396811802D+01 -0.18129651181678D-15
|
|
3 4 2 4 -0.33721016285463D-15 -0.12952916717917D-15
|
|
1 5 2 4 -0.11252709570768D-04 0.31974501310647D+00
|
|
2 5 2 4 0.21758835787019D-14 0.47981103984671D-15
|
|
3 5 2 4 0.17457163611474D-18 0.71393859003410D-16
|
|
1 1 3 4 -0.16360031447467D-15 0.83661693047733D-16
|
|
2 1 3 4 -0.73417360035232D-14 0.37313574763880D-14
|
|
3 1 3 4 0.15953600335384D+00 -0.15948513559437D+00
|
|
1 2 3 4 -0.58766691403308D-16 0.99559152638094D-14
|
|
2 2 3 4 0.00000000000000D+00 -0.14350558493552D-15
|
|
3 2 3 4 0.53063193050731D-14 0.25114206470348D-14
|
|
1 3 3 4 -0.29658134220089D-15 -0.29262819112428D-15
|
|
2 3 3 4 0.57732912075256D-16 -0.48458303283222D-16
|
|
3 3 3 4 0.13199580052578D-14 -0.18211336244836D-14
|
|
1 4 3 4 -0.47439641478779D-15 0.00000000000000D+00
|
|
2 4 3 4 -0.33721016285463D-15 -0.12952916717917D-15
|
|
3 4 3 4 0.29005370501204D+01 -0.14894324136341D-15
|
|
1 5 3 4 0.23104998429167D-14 -0.47682315995507D-14
|
|
2 5 3 4 0.17457163611473D-18 0.71393964882529D-16
|
|
3 5 3 4 -0.18577288872068D-14 -0.62883949843977D-15
|
|
1 1 1 5 0.56562043530706D-14 -0.49274222216736D-14
|
|
2 1 1 5 0.80774650751355D+00 0.80765584933428D+00
|
|
3 1 1 5 0.43575532020223D-15 0.55658178248869D-15
|
|
1 2 1 5 -0.35786379465384D+01 -0.23627235032754D-04
|
|
2 2 1 5 -0.13387990513641D-14 0.14900054863927D-15
|
|
3 2 1 5 0.55609352454472D-15 0.00000000000000D+00
|
|
1 3 1 5 0.67033095271526D+00 -0.67031463822345D+00
|
|
2 3 1 5 -0.41333775865991D-15 0.22760112903298D-15
|
|
3 3 1 5 -0.40589053325821D-16 0.84837275239551D-16
|
|
1 4 1 5 0.28939012208442D-14 0.60933023024584D-15
|
|
2 4 1 5 -0.11252707198637D-04 -0.31974501310438D+00
|
|
3 4 1 5 0.23104998429167D-14 0.47682315995507D-14
|
|
1 5 1 5 0.31392565292335D+01 0.19224345429645D-15
|
|
2 5 1 5 -0.59004286090381D-15 0.16368744339609D-15
|
|
3 5 1 5 -0.80623955280801D-15 0.00000000000000D+00
|
|
1 1 2 5 0.81080549077625D+00 0.81078698773198D+00
|
|
2 1 2 5 -0.14304082377653D-14 -0.33880127011201D-15
|
|
3 1 2 5 -0.26454390740380D-15 0.25477828748929D-15
|
|
1 2 2 5 -0.13387990513641D-14 0.14900054863927D-15
|
|
2 2 2 5 -0.18009207322106D+01 -0.12517594663457D-03
|
|
3 2 2 5 -0.24464553983575D-15 0.28992299571034D-15
|
|
1 3 2 5 -0.41333775865991D-15 0.22760112903298D-15
|
|
2 3 2 5 -0.87418213967623D+00 0.87409933924223D+00
|
|
3 3 2 5 -0.40823871346337D-15 0.42372159301581D-14
|
|
1 4 2 5 -0.85168915063055D-04 -0.39991432772266D+00
|
|
2 4 2 5 0.21758835787019D-14 -0.47981103984671D-15
|
|
3 4 2 5 0.17457163611473D-18 -0.71393859003410D-16
|
|
1 5 2 5 -0.59004286090381D-15 0.16368744339609D-15
|
|
2 5 2 5 0.24561783108570D+01 0.16217873642663D-15
|
|
3 5 2 5 0.32242627855880D-15 0.00000000000000D+00
|
|
1 1 3 5 0.43575532020223D-15 0.55658178248869D-15
|
|
2 1 3 5 -0.26454390740380D-15 0.25477786397282D-15
|
|
3 1 3 5 0.17552366930209D-14 -0.23771145375749D-14
|
|
1 2 3 5 0.55609352454472D-15 0.00000000000000D+00
|
|
2 2 3 5 -0.24464553983575D-15 0.28992299571034D-15
|
|
3 2 3 5 -0.33922375260447D+01 0.48496097626601D-04
|
|
1 3 3 5 -0.40589053325821D-16 0.84837275239551D-16
|
|
2 3 3 5 -0.40823871346337D-15 0.42372159301581D-14
|
|
3 3 3 5 -0.11109386328547D+01 0.11109303599165D+01
|
|
1 4 3 5 0.23104998429167D-14 0.47682315995507D-14
|
|
2 4 3 5 0.17458487100454D-18 -0.71393859003410D-16
|
|
3 4 3 5 -0.18577288872068D-14 0.62883949843977D-15
|
|
1 5 3 5 -0.80623955280801D-15 0.00000000000000D+00
|
|
2 5 3 5 0.32242627855880D-15 0.00000000000000D+00
|
|
3 5 3 5 0.87782969926438D+01 0.24745946668766D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 5.00000000E-01 5.00000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.46662034784265D+01 0.00000000000000D+00
|
|
2 1 1 1 -0.26038026299407D-14 0.00000000000000D+00
|
|
3 1 1 1 -0.18686986112582D-15 0.00000000000000D+00
|
|
1 2 1 1 -0.45852057191987D-15 0.00000000000000D+00
|
|
2 2 1 1 -0.61119634194950D+01 0.11440070487588D-04
|
|
3 2 1 1 -0.74831616161198D-16 0.00000000000000D+00
|
|
1 3 1 1 0.39906217205558D-14 -0.12408991289721D-14
|
|
2 3 1 1 -0.29947279308810D-19 0.12412140637171D-14
|
|
3 3 1 1 -0.40594457539381D-14 -0.71137060869517D-15
|
|
1 4 1 1 0.49694188634644D-14 -0.23649760984525D-15
|
|
2 4 1 1 -0.15683630046396D-18 0.14017296966938D-14
|
|
3 4 1 1 -0.15683619699845D-18 0.17585853351690D-16
|
|
1 5 1 1 -0.17267320216980D-15 0.00000000000000D+00
|
|
2 5 1 1 0.14381265711795D+01 0.60657286537720D-05
|
|
3 5 1 1 0.10513072642436D-15 0.00000000000000D+00
|
|
1 1 2 1 -0.26038026299407D-14 0.00000000000000D+00
|
|
2 1 2 1 0.46662034784262D+01 0.00000000000000D+00
|
|
3 1 2 1 0.21674490321657D-16 0.00000000000000D+00
|
|
1 2 2 1 -0.61119634194950D+01 0.11440070487588D-04
|
|
2 2 2 1 0.28381421246536D-14 0.00000000000000D+00
|
|
3 2 2 1 0.22358758229140D-15 0.00000000000000D+00
|
|
1 3 2 1 -0.29947279308810D-19 0.12412140637171D-14
|
|
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3 2 1 2 0.67822163120432D-15 0.00000000000000D+00
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1 3 1 2 0.80060131417735D-14 -0.29698389900702D-14
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2 3 1 2 -0.18426351355851D-17 -0.16730868810160D-14
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3 3 1 2 0.00000000000000D+00 0.17968184311845D-16
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1 4 1 2 0.78802391833456D-14 0.13852589147485D-13
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2 4 1 2 -0.10479761792154D-16 -0.18662628217625D-14
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3 4 1 2 0.44131276460624D-17 0.25126414596128D-15
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1 5 1 2 -0.29571597645380D+01 0.32295917294194D-04
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2 5 1 2 -0.16519410818965D-14 0.00000000000000D+00
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3 5 1 2 0.33068254712696D-16 0.00000000000000D+00
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2 1 2 2 0.28381421246536D-14 0.00000000000000D+00
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3 1 2 2 0.22358758229140D-15 0.00000000000000D+00
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2 2 2 2 0.19641813481240D+02 0.00000000000000D+00
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3 2 2 2 0.70239024952167D-15 0.00000000000000D+00
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1 3 2 2 -0.18426351355851D-17 -0.16730868810160D-14
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2 3 2 2 0.73843968529049D-14 0.17147747112834D-13
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3 3 2 2 0.62220647595429D-17 0.20204237870628D-15
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1 4 2 2 -0.10479761792154D-16 -0.18662628217625D-14
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2 4 2 2 0.92992154401910D-14 -0.47336918576805D-14
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1 5 2 2 -0.16519410818965D-14 0.00000000000000D+00
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2 5 2 2 -0.29571597645380D+01 0.32295917294194D-04
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3 5 2 2 -0.60764362343669D-15 0.00000000000000D+00
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1 1 3 2 -0.74831616161198D-16 0.00000000000000D+00
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2 1 3 2 0.22358758229140D-15 0.00000000000000D+00
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3 1 3 2 0.34014042446336D-15 0.00000000000000D+00
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1 2 3 2 0.67819452615001D-15 0.00000000000000D+00
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2 2 3 2 0.70236314446736D-15 0.00000000000000D+00
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3 2 3 2 0.61973163118814D+01 0.00000000000000D+00
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1 3 3 2 0.00000000000000D+00 0.17968184311845D-16
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2 3 3 2 0.62220647595429D-17 0.20204237870628D-15
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3 3 3 2 0.32922606393143D-14 -0.32267850136578D-14
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1 4 3 2 0.44131276460624D-17 0.25126414596128D-15
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2 4 3 2 0.00000000000000D+00 -0.12478938628709D-15
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3 4 3 2 0.53063055149722D-14 -0.32218875808445D-14
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1 5 3 2 0.33068254712697D-16 0.00000000000000D+00
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2 5 3 2 -0.60764362343669D-15 0.00000000000000D+00
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3 5 3 2 -0.33926410395601D+01 0.63048997055332D-04
|
|
1 1 1 3 0.39906217205558D-14 0.12408991289721D-14
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|
2 1 1 3 -0.29947279308810D-19 -0.12412140637171D-14
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|
3 1 1 3 -0.40594457539381D-14 0.71137060869517D-15
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|
1 2 1 3 0.80060131417735D-14 0.29698389900702D-14
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|
2 2 1 3 -0.18426351355851D-17 0.16730868810160D-14
|
|
3 2 1 3 0.00000000000000D+00 -0.17968184311845D-16
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|
1 3 1 3 0.33355905776043D+01 0.00000000000000D+00
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|
2 3 1 3 -0.12926671302175D-14 0.00000000000000D+00
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|
3 3 1 3 -0.71212847070234D-16 0.00000000000000D+00
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|
1 4 1 3 0.10360392130188D-15 0.00000000000000D+00
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|
2 4 1 3 0.29721607408088D+01 0.00000000000000D+00
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|
3 4 1 3 -0.63078435854618D-16 0.00000000000000D+00
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|
1 5 1 3 0.29816526521555D-14 -0.14189898942363D-15
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|
2 5 1 3 -0.94101780278378D-19 0.84103781801629D-15
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|
3 5 1 3 -0.94101718199067D-19 0.10551512011014D-16
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|
1 1 2 3 -0.29947279308810D-19 -0.12412140637171D-14
|
|
2 1 2 3 0.50849968218688D-14 0.66439548841743D-15
|
|
3 1 2 3 0.26962711852116D-18 0.96774029333321D-16
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|
1 2 2 3 -0.18426351355851D-17 0.16730868810160D-14
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|
2 2 2 3 0.73843968529049D-14 -0.17147747112834D-13
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|
3 2 2 3 0.62220647595429D-17 -0.20204237870628D-15
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|
1 3 2 3 -0.12926671302175D-14 0.00000000000000D+00
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|
2 3 2 3 0.17677878094143D+02 0.00000000000000D+00
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|
3 3 2 3 0.23217079622945D-15 0.00000000000000D+00
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|
1 4 2 3 0.51618620095102D+01 0.00000000000000D+00
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|
2 4 2 3 0.85837504617285D-15 0.00000000000000D+00
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|
3 4 2 3 0.42608291429204D-16 0.00000000000000D+00
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|
1 5 2 3 -0.94101780278378D-19 0.84103781801629D-15
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|
2 5 2 3 0.21584990401788D-14 -0.21178279134150D-14
|
|
3 5 2 3 0.34339385040749D-14 -0.49340703663482D-15
|
|
1 1 3 3 -0.40594457539381D-14 0.71137060869517D-15
|
|
2 1 3 3 0.26962711852116D-18 0.96774029333321D-16
|
|
3 1 3 3 -0.30959873469501D-14 0.16475960437227D-14
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|
1 2 3 3 0.00000000000000D+00 -0.17968184311845D-16
|
|
2 2 3 3 0.62220647595429D-17 -0.20204237870628D-15
|
|
3 2 3 3 0.32922657215120D-14 0.32267850136578D-14
|
|
1 3 3 3 -0.71212847070233D-16 0.00000000000000D+00
|
|
2 3 3 3 0.23217079622945D-15 0.00000000000000D+00
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|
3 3 3 3 0.30459012823571D+01 0.00000000000000D+00
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|
1 4 3 3 -0.63078435854618D-16 0.00000000000000D+00
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|
2 4 3 3 0.42608291429204D-16 0.00000000000000D+00
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|
3 4 3 3 0.71937119616357D-16 0.00000000000000D+00
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|
1 5 3 3 -0.94101718199067D-19 0.10551512011014D-16
|
|
2 5 3 3 0.34339385040749D-14 -0.49340703663482D-15
|
|
3 5 3 3 -0.19238056990365D-14 -0.10121366886475D-14
|
|
1 1 1 4 0.49694188634644D-14 0.23649760984525D-15
|
|
2 1 1 4 -0.15683630046396D-18 -0.14017296966938D-14
|
|
3 1 1 4 -0.15683619699845D-18 -0.17585853351690D-16
|
|
1 2 1 4 0.78802391833456D-14 -0.13852589147485D-13
|
|
2 2 1 4 -0.10479761792154D-16 0.18662628217625D-14
|
|
3 2 1 4 0.44131276460624D-17 -0.25126414596128D-15
|
|
1 3 1 4 0.10360392130188D-15 0.00000000000000D+00
|
|
2 3 1 4 0.51618620095102D+01 0.00000000000000D+00
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|
3 3 1 4 -0.63078435854618D-16 0.00000000000000D+00
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|
1 4 1 4 0.17677878094143D+02 0.00000000000000D+00
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|
2 4 1 4 -0.10984092447650D-14 0.00000000000000D+00
|
|
3 4 1 4 -0.21348148633068D-15 0.00000000000000D+00
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|
1 5 1 4 0.23943732017448D-14 -0.74453795272395D-15
|
|
2 5 1 4 -0.17968367585286D-19 0.74472843823028D-15
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|
3 5 1 4 0.15611354362877D-14 -0.42682236521710D-15
|
|
1 1 2 4 -0.15683630046396D-18 -0.14017296966938D-14
|
|
2 1 2 4 0.35974977650155D-14 0.35297157301238D-14
|
|
3 1 2 4 -0.93810730762611D-15 0.82234506105804D-15
|
|
1 2 2 4 -0.10479761792154D-16 0.18662628217625D-14
|
|
2 2 2 4 0.92992154401910D-14 0.47336918576805D-14
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|
3 2 2 4 0.00000000000000D+00 0.12478938628709D-15
|
|
1 3 2 4 0.29721607408088D+01 0.00000000000000D+00
|
|
2 3 2 4 0.85837504617285D-15 0.00000000000000D+00
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|
3 3 2 4 0.42608291429204D-16 0.00000000000000D+00
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|
1 4 2 4 -0.10984092447650D-14 0.00000000000000D+00
|
|
2 4 2 4 0.33355905776016D+01 0.00000000000000D+00
|
|
3 4 2 4 0.33158353922154D-16 0.00000000000000D+00
|
|
1 5 2 4 -0.17968367585286D-19 0.74472843823028D-15
|
|
2 5 2 4 0.30509994271982D-14 -0.39863771656693D-15
|
|
3 5 2 4 0.16177627111270D-18 -0.58064417599992D-16
|
|
1 1 3 4 -0.15683619699845D-18 -0.17585853351690D-16
|
|
2 1 3 4 -0.93810730762611D-15 0.82234506105804D-15
|
|
3 1 3 4 -0.32063435375878D-14 0.16868938410902D-14
|
|
1 2 3 4 0.44131276460624D-17 -0.25126414596128D-15
|
|
2 2 3 4 0.00000000000000D+00 0.12478938628709D-15
|
|
3 2 3 4 0.53063105971699D-14 0.32218874944558D-14
|
|
1 3 3 4 -0.63078435854618D-16 0.00000000000000D+00
|
|
2 3 3 4 0.42608291429204D-16 0.00000000000000D+00
|
|
3 3 3 4 0.71937119616357D-16 0.00000000000000D+00
|
|
1 4 3 4 -0.21348148633068D-15 0.00000000000000D+00
|
|
2 4 3 4 0.33158353922153D-16 0.00000000000000D+00
|
|
3 4 3 4 0.30459012823594D+01 0.00000000000000D+00
|
|
1 5 3 4 0.15611354362877D-14 -0.42682236521710D-15
|
|
2 5 3 4 0.16177627111270D-18 -0.58064417599992D-16
|
|
3 5 3 4 -0.18575919846539D-14 -0.98855800102656D-15
|
|
1 1 1 5 -0.17267320216980D-15 0.00000000000000D+00
|
|
2 1 1 5 0.14381265711794D+01 -0.60657286537720D-05
|
|
3 1 1 5 0.10513072642436D-15 0.00000000000000D+00
|
|
1 2 1 5 -0.29571597648126D+01 -0.32295917526903D-04
|
|
2 2 1 5 -0.16519410818965D-14 0.00000000000000D+00
|
|
3 2 1 5 0.33068254712697D-16 0.00000000000000D+00
|
|
1 3 1 5 0.29816526521555D-14 0.14189898942363D-15
|
|
2 3 1 5 -0.94101780278378D-19 -0.84103781801629D-15
|
|
3 3 1 5 -0.94101718199067D-19 -0.10551512011014D-16
|
|
1 4 1 5 0.23943732017448D-14 0.74453795272395D-15
|
|
2 4 1 5 -0.17968367585286D-19 -0.74472843823028D-15
|
|
3 4 1 5 0.15611354362877D-14 0.42682236521710D-15
|
|
1 5 1 5 0.25883759628132D+01 0.00000000000000D+00
|
|
2 5 1 5 -0.84920876212564D-15 0.00000000000000D+00
|
|
3 5 1 5 -0.54532462435077D-15 0.00000000000000D+00
|
|
1 1 2 5 0.14381265711795D+01 -0.60657286537720D-05
|
|
2 1 2 5 -0.14306250769547D-14 0.00000000000000D+00
|
|
3 1 2 5 -0.71013819048673D-16 0.00000000000000D+00
|
|
1 2 2 5 -0.16519410818965D-14 0.00000000000000D+00
|
|
2 2 2 5 -0.29571597648126D+01 -0.32295917526903D-04
|
|
3 2 2 5 -0.60764362343669D-15 0.00000000000000D+00
|
|
1 3 2 5 -0.94101780278378D-19 -0.84103781801629D-15
|
|
2 3 2 5 0.21584990401788D-14 0.21178279134150D-14
|
|
3 3 2 5 0.34339385040749D-14 0.49340703663482D-15
|
|
1 4 2 5 -0.17968367585286D-19 -0.74472843823028D-15
|
|
2 4 2 5 0.30509994271982D-14 0.39863771656693D-15
|
|
3 4 2 5 0.16177627111270D-18 0.58064417599992D-16
|
|
1 5 2 5 -0.84920876212564D-15 0.00000000000000D+00
|
|
2 5 2 5 0.25883759628114D+01 0.00000000000000D+00
|
|
3 5 2 5 0.69279479533559D-15 0.00000000000000D+00
|
|
1 1 3 5 0.10513072642436D-15 0.00000000000000D+00
|
|
2 1 3 5 -0.71013819048673D-16 0.00000000000000D+00
|
|
3 1 3 5 -0.11989519936060D-15 0.00000000000000D+00
|
|
1 2 3 5 0.33075030976274D-16 0.00000000000000D+00
|
|
2 2 3 5 -0.60763684717311D-15 0.00000000000000D+00
|
|
3 2 3 5 -0.33926410395685D+01 -0.63048995547401D-04
|
|
1 3 3 5 -0.94101718199067D-19 -0.10551512011014D-16
|
|
2 3 3 5 0.34339385040749D-14 0.49340703663482D-15
|
|
3 3 3 5 -0.19238052755200D-14 0.10121366886475D-14
|
|
1 4 3 5 0.15611354362877D-14 0.42682236521710D-15
|
|
2 4 3 5 0.16177627111270D-18 0.58064417599992D-16
|
|
3 4 3 5 -0.18575915611374D-14 0.98855800739843D-15
|
|
1 5 3 5 -0.54532462435077D-15 0.00000000000000D+00
|
|
2 5 3 5 0.69279479533559D-15 0.00000000000000D+00
|
|
3 5 3 5 0.88341270744518D+01 0.00000000000000D+00
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 2.50000000E-01 2.50000000E-01 2.50000000E-01 1.0
|
|
1 1 1 1 0.37405954090801D+01 0.31947031860215D-16
|
|
2 1 1 1 0.41936572863210D+00 0.00000000000000D+00
|
|
3 1 1 1 0.41936572863210D+00 0.00000000000000D+00
|
|
1 2 1 1 0.82998053749550D-01 -0.83080919992791D-01
|
|
2 2 1 1 -0.19580339561682D+01 0.19579043475458D+01
|
|
3 2 1 1 -0.19580339561683D+01 0.19579043475459D+01
|
|
1 3 1 1 -0.81570071282306D-05 -0.29352901045381D-01
|
|
2 3 1 1 -0.13552031026941D-03 -0.76603471611956D+00
|
|
3 3 1 1 0.34794744398240D-04 -0.72680590939284D+00
|
|
1 4 1 1 0.63449327072967D-04 -0.11439375967583D+01
|
|
2 4 1 1 -0.36771723834997D-05 -0.30656822793196D+00
|
|
3 4 1 1 -0.36771723835002D-05 -0.30656822793197D+00
|
|
1 5 1 1 -0.81570071276195D-05 -0.29352901045388D-01
|
|
2 5 1 1 0.34794744398330D-04 -0.72680590939290D+00
|
|
3 5 1 1 -0.13552031026941D-03 -0.76603471611954D+00
|
|
1 1 2 1 0.41936572863210D+00 0.00000000000000D+00
|
|
2 1 2 1 0.37405954090799D+01 -0.33105057853967D-16
|
|
3 1 2 1 0.41936572863211D+00 0.00000000000000D+00
|
|
1 2 2 1 -0.19580339561682D+01 0.19579043475459D+01
|
|
2 2 2 1 0.82998053749547D-01 -0.83080919992792D-01
|
|
3 2 2 1 -0.19580339561683D+01 0.19579043475459D+01
|
|
1 3 2 1 -0.36771723835001D-05 -0.30656822793197D+00
|
|
2 3 2 1 0.63449327072997D-04 -0.11439375967582D+01
|
|
3 3 2 1 -0.36771723834997D-05 -0.30656822793195D+00
|
|
1 4 2 1 -0.13552031026941D-03 -0.76603471611956D+00
|
|
2 4 2 1 -0.81570071276149D-05 -0.29352901045388D-01
|
|
3 4 2 1 0.34794744399610D-04 -0.72680590939283D+00
|
|
1 5 2 1 0.34794744398330D-04 -0.72680590939291D+00
|
|
2 5 2 1 -0.81570071280626D-05 -0.29352901045377D-01
|
|
3 5 2 1 -0.13552031026941D-03 -0.76603471611954D+00
|
|
1 1 3 1 0.41936572863210D+00 0.00000000000000D+00
|
|
2 1 3 1 0.41936572863211D+00 0.00000000000000D+00
|
|
3 1 3 1 0.37405954090801D+01 -0.11397871416703D-16
|
|
1 2 3 1 -0.19580339561683D+01 0.19579043475459D+01
|
|
2 2 3 1 -0.19580339561683D+01 0.19579043475459D+01
|
|
3 2 3 1 0.82998053749527D-01 -0.83080919992768D-01
|
|
1 3 3 1 0.34794744398240D-04 -0.72680590939285D+00
|
|
2 3 3 1 -0.13552031026941D-03 -0.76603471611954D+00
|
|
3 3 3 1 -0.81570071279706D-05 -0.29352901045373D-01
|
|
1 4 3 1 -0.13552031026941D-03 -0.76603471611956D+00
|
|
2 4 3 1 0.34794744399610D-04 -0.72680590939283D+00
|
|
3 4 3 1 -0.81570071280463D-05 -0.29352901045370D-01
|
|
1 5 3 1 -0.36771723834990D-05 -0.30656822793195D+00
|
|
2 5 3 1 -0.36771723834989D-05 -0.30656822793195D+00
|
|
3 5 3 1 0.63449327073070D-04 -0.11439375967583D+01
|
|
1 1 1 2 0.82998053744559D-01 0.83080919992737D-01
|
|
2 1 1 2 -0.19580339561682D+01 -0.19579043475459D+01
|
|
3 1 1 2 -0.19580339561683D+01 -0.19579043475459D+01
|
|
1 2 1 2 0.14446125503367D+02 0.27938057118260D-14
|
|
2 2 1 2 0.20428284292777D+01 0.18816483779119D-14
|
|
3 2 1 2 0.20428284292777D+01 0.18816484943199D-14
|
|
1 3 1 2 -0.11141005139090D+01 0.11140601042211D+01
|
|
2 3 1 2 -0.16205304294162D+01 0.16207723158733D+01
|
|
3 3 1 2 -0.32527794542442D+00 0.32512668849558D+00
|
|
1 4 1 2 -0.32751727121137D+01 0.32751628236587D+01
|
|
2 4 1 2 -0.37091421732896D+00 0.37091364432995D+00
|
|
3 4 1 2 -0.37091421732895D+00 0.37091364432994D+00
|
|
1 5 1 2 -0.11141005139090D+01 0.11140601042211D+01
|
|
2 5 1 2 -0.32527794542443D+00 0.32512668849559D+00
|
|
3 5 1 2 -0.16205304294162D+01 0.16207723158733D+01
|
|
1 1 2 2 -0.19580339561682D+01 -0.19579043475458D+01
|
|
2 1 2 2 0.82998053744555D-01 0.83080919992737D-01
|
|
3 1 2 2 -0.19580339561683D+01 -0.19579043475459D+01
|
|
1 2 2 2 0.20428284292777D+01 0.18816483779119D-14
|
|
2 2 2 2 0.14446125503367D+02 0.27001307026375D-14
|
|
3 2 2 2 0.20428284292777D+01 0.18816484334101D-14
|
|
1 3 2 2 -0.37091421732896D+00 0.37091364432995D+00
|
|
2 3 2 2 -0.32751727121137D+01 0.32751628236588D+01
|
|
3 3 2 2 -0.37091421732893D+00 0.37091364432992D+00
|
|
1 4 2 2 -0.16205304294162D+01 0.16207723158733D+01
|
|
2 4 2 2 -0.11141005139090D+01 0.11140601042211D+01
|
|
3 4 2 2 -0.32527794542442D+00 0.32512668849558D+00
|
|
1 5 2 2 -0.32527794542443D+00 0.32512668849559D+00
|
|
2 5 2 2 -0.11141005139089D+01 0.11140601042211D+01
|
|
3 5 2 2 -0.16205304294162D+01 0.16207723158733D+01
|
|
1 1 3 2 -0.19580339561683D+01 -0.19579043475459D+01
|
|
2 1 3 2 -0.19580339561683D+01 -0.19579043475459D+01
|
|
3 1 3 2 0.82998053744535D-01 0.83080919992714D-01
|
|
1 2 3 2 0.20428284292777D+01 0.18816484943199D-14
|
|
2 2 3 2 0.20428284292777D+01 0.18816484334101D-14
|
|
3 2 3 2 0.14446125503367D+02 0.27313890511072D-14
|
|
1 3 3 2 -0.32527794542442D+00 0.32512668849557D+00
|
|
2 3 3 2 -0.16205304294162D+01 0.16207723158733D+01
|
|
3 3 3 2 -0.11141005139089D+01 0.11140601042211D+01
|
|
1 4 3 2 -0.16205304294162D+01 0.16207723158733D+01
|
|
2 4 3 2 -0.32527794542442D+00 0.32512668849558D+00
|
|
3 4 3 2 -0.11141005139090D+01 0.11140601042211D+01
|
|
1 5 3 2 -0.37091421732895D+00 0.37091364432994D+00
|
|
2 5 3 2 -0.37091421732895D+00 0.37091364432994D+00
|
|
3 5 3 2 -0.32751727121137D+01 0.32751628236587D+01
|
|
1 1 1 3 -0.22111377503577D-04 0.29328921460144D-01
|
|
2 1 1 3 -0.36771723835001D-05 0.30656822793197D+00
|
|
3 1 1 3 0.34794744398240D-04 0.72680590939285D+00
|
|
1 2 1 3 -0.11140534748290D+01 -0.11140118201812D+01
|
|
2 2 1 3 -0.37091421732896D+00 -0.37091364432995D+00
|
|
3 2 1 3 -0.32527794542442D+00 -0.32512668849557D+00
|
|
1 3 1 3 0.28286410680539D+01 0.11500931469677D-16
|
|
2 3 1 3 0.49382597599015D+00 -0.88807433031922D-04
|
|
3 3 1 3 0.34705609986890D+00 0.29473011750176D-04
|
|
1 4 1 3 -0.71518868275669D+00 -0.42408712221538D-05
|
|
2 4 1 3 0.15045296034102D+01 -0.17445082833860D-04
|
|
3 4 1 3 0.19695294679643D+00 -0.27428251493192D-04
|
|
1 5 1 3 0.44417269689043D+00 0.57559438995211D-05
|
|
2 5 1 3 0.19695294679642D+00 0.27428251493192D-04
|
|
3 5 1 3 0.35947888922948D+00 -0.59481343017819D-04
|
|
1 1 2 3 -0.62193549499593D-04 0.76604177505062D+00
|
|
2 1 2 3 0.63449327072997D-04 0.11439375967582D+01
|
|
3 1 2 3 -0.62193549499593D-04 0.76604177505060D+00
|
|
1 2 2 3 -0.16206130276592D+01 -0.16207592396758D+01
|
|
2 2 2 3 -0.32751727121137D+01 -0.32751628236588D+01
|
|
3 2 2 3 -0.16206130276592D+01 -0.16207592396758D+01
|
|
1 3 2 3 0.49418804688058D+00 -0.44667954745977D-04
|
|
2 3 2 3 0.14187817211154D+02 -0.11917820827428D-16
|
|
3 3 2 3 0.49418804688058D+00 -0.44667954745977D-04
|
|
1 4 2 3 0.33322475668310D+01 -0.79618506757180D-16
|
|
2 4 2 3 -0.71518868275669D+00 0.42408712222383D-05
|
|
3 4 2 3 0.35947888922949D+00 0.59481343017819D-04
|
|
1 5 2 3 0.35947888922948D+00 0.59481343017818D-04
|
|
2 5 2 3 -0.71518868275669D+00 0.42408712219697D-05
|
|
3 5 2 3 0.33322475668310D+01 0.15175563622860D-15
|
|
1 1 3 3 0.34794744398240D-04 0.72680590939284D+00
|
|
2 1 3 3 -0.36771723834997D-05 0.30656822793195D+00
|
|
3 1 3 3 -0.22111377503317D-04 0.29328921460137D-01
|
|
1 2 3 3 -0.32527794542442D+00 -0.32512668849558D+00
|
|
2 2 3 3 -0.37091421732893D+00 -0.37091364432992D+00
|
|
3 2 3 3 -0.11140534748290D+01 -0.11140118201812D+01
|
|
1 3 3 3 0.34705609986890D+00 0.29473011750176D-04
|
|
2 3 3 3 0.49382597599015D+00 -0.88807433031922D-04
|
|
3 3 3 3 0.28286410680494D+01 -0.41032337100131D-17
|
|
1 4 3 3 0.35947888922949D+00 -0.59481343017819D-04
|
|
2 4 3 3 0.19695294679642D+00 0.27428251493193D-04
|
|
3 4 3 3 0.44417269689039D+00 0.57559438995842D-05
|
|
1 5 3 3 0.19695294679642D+00 -0.27428251493193D-04
|
|
2 5 3 3 0.15045296034103D+01 -0.17445082833628D-04
|
|
3 5 3 3 -0.71518868275668D+00 -0.42408712218977D-05
|
|
1 1 1 4 0.63449327072967D-04 0.11439375967583D+01
|
|
2 1 1 4 -0.62193549499593D-04 0.76604177505061D+00
|
|
3 1 1 4 -0.62193549499593D-04 0.76604177505062D+00
|
|
1 2 1 4 -0.32751727121137D+01 -0.32751628236587D+01
|
|
2 2 1 4 -0.16206130276592D+01 -0.16207592396758D+01
|
|
3 2 1 4 -0.16206130276592D+01 -0.16207592396758D+01
|
|
1 3 1 4 -0.71518868275669D+00 0.42408712221538D-05
|
|
2 3 1 4 0.33322475668310D+01 0.79618506757180D-16
|
|
3 3 1 4 0.35947888922949D+00 0.59481343017819D-04
|
|
1 4 1 4 0.14187817211154D+02 0.11500931469677D-16
|
|
2 4 1 4 0.49418804688058D+00 -0.44667954745977D-04
|
|
3 4 1 4 0.49418804688058D+00 -0.44667954745977D-04
|
|
1 5 1 4 -0.71518868275669D+00 0.42408712223391D-05
|
|
2 5 1 4 0.35947888922948D+00 0.59481343017818D-04
|
|
3 5 1 4 0.33322475668310D+01 -0.25525653132007D-16
|
|
1 1 2 4 -0.36771723834997D-05 0.30656822793196D+00
|
|
2 1 2 4 -0.22111377502961D-04 0.29328921460151D-01
|
|
3 1 2 4 0.34794744399610D-04 0.72680590939283D+00
|
|
1 2 2 4 -0.37091421732896D+00 -0.37091364432995D+00
|
|
2 2 2 4 -0.11140534748290D+01 -0.11140118201812D+01
|
|
3 2 2 4 -0.32527794542442D+00 -0.32512668849558D+00
|
|
1 3 2 4 0.15045296034102D+01 -0.17445082833700D-04
|
|
2 3 2 4 -0.71518868275669D+00 -0.42408712222383D-05
|
|
3 3 2 4 0.19695294679642D+00 -0.27428251493193D-04
|
|
1 4 2 4 0.49382597599014D+00 -0.88807433031922D-04
|
|
2 4 2 4 0.28286410680512D+01 -0.11917820827428D-16
|
|
3 4 2 4 0.34705609986890D+00 0.29473011750176D-04
|
|
1 5 2 4 0.19695294679642D+00 0.27428251493192D-04
|
|
2 5 2 4 0.44417269689043D+00 0.57559438996282D-05
|
|
3 5 2 4 0.35947888922949D+00 -0.59481343017819D-04
|
|
1 1 3 4 -0.36771723835002D-05 0.30656822793197D+00
|
|
2 1 3 4 0.34794744399610D-04 0.72680590939283D+00
|
|
3 1 3 4 -0.22111377503392D-04 0.29328921460133D-01
|
|
1 2 3 4 -0.37091421732895D+00 -0.37091364432994D+00
|
|
2 2 3 4 -0.32527794542442D+00 -0.32512668849558D+00
|
|
3 2 3 4 -0.11140534748290D+01 -0.11140118201812D+01
|
|
1 3 3 4 0.19695294679643D+00 0.27428251493192D-04
|
|
2 3 3 4 0.35947888922949D+00 -0.59481343017819D-04
|
|
3 3 3 4 0.44417269689039D+00 0.57559438995577D-05
|
|
1 4 3 4 0.49382597599015D+00 -0.88807433031922D-04
|
|
2 4 3 4 0.34705609986890D+00 0.29473011750176D-04
|
|
3 4 3 4 0.28286410680516D+01 -0.41032337100131D-17
|
|
1 5 3 4 0.15045296034102D+01 -0.17445082833805D-04
|
|
2 5 3 4 0.19695294679642D+00 -0.27428251493192D-04
|
|
3 5 3 4 -0.71518868275669D+00 -0.42408712219432D-05
|
|
1 1 1 5 -0.22111377502966D-04 0.29328921460151D-01
|
|
2 1 1 5 0.34794744398330D-04 0.72680590939291D+00
|
|
3 1 1 5 -0.36771723834990D-05 0.30656822793195D+00
|
|
1 2 1 5 -0.11140534748290D+01 -0.11140118201812D+01
|
|
2 2 1 5 -0.32527794542443D+00 -0.32512668849559D+00
|
|
3 2 1 5 -0.37091421732895D+00 -0.37091364432994D+00
|
|
1 3 1 5 0.44417269689043D+00 0.57559438996209D-05
|
|
2 3 1 5 0.35947888922948D+00 -0.59481343017818D-04
|
|
3 3 1 5 0.19695294679642D+00 0.27428251493193D-04
|
|
1 4 1 5 -0.71518868275669D+00 -0.42408712223391D-05
|
|
2 4 1 5 0.19695294679642D+00 -0.27428251493192D-04
|
|
3 4 1 5 0.15045296034102D+01 -0.17445082833754D-04
|
|
1 5 1 5 0.28286410680525D+01 0.11500931469677D-16
|
|
2 5 1 5 0.34705609986890D+00 0.29473011750176D-04
|
|
3 5 1 5 0.49382597599015D+00 -0.88807433031922D-04
|
|
1 1 2 5 0.34794744398330D-04 0.72680590939290D+00
|
|
2 1 2 5 -0.22111377503409D-04 0.29328921460140D-01
|
|
3 1 2 5 -0.36771723834989D-05 0.30656822793195D+00
|
|
1 2 2 5 -0.32527794542443D+00 -0.32512668849559D+00
|
|
2 2 2 5 -0.11140534748290D+01 -0.11140118201812D+01
|
|
3 2 2 5 -0.37091421732895D+00 -0.37091364432994D+00
|
|
1 3 2 5 0.19695294679642D+00 -0.27428251493192D-04
|
|
2 3 2 5 -0.71518868275669D+00 -0.42408712219697D-05
|
|
3 3 2 5 0.15045296034103D+01 -0.17445082833932D-04
|
|
1 4 2 5 0.35947888922948D+00 -0.59481343017818D-04
|
|
2 4 2 5 0.44417269689043D+00 0.57559438995138D-05
|
|
3 4 2 5 0.19695294679642D+00 0.27428251493192D-04
|
|
1 5 2 5 0.34705609986890D+00 0.29473011750176D-04
|
|
2 5 2 5 0.28286410680507D+01 -0.11917820827428D-16
|
|
3 5 2 5 0.49382597599015D+00 -0.88807433031922D-04
|
|
1 1 3 5 -0.62193549499592D-04 0.76604177505059D+00
|
|
2 1 3 5 -0.62193549499592D-04 0.76604177505060D+00
|
|
3 1 3 5 0.63449327073070D-04 0.11439375967583D+01
|
|
1 2 3 5 -0.16206130276592D+01 -0.16207592396758D+01
|
|
2 2 3 5 -0.16206130276592D+01 -0.16207592396758D+01
|
|
3 2 3 5 -0.32751727121137D+01 -0.32751628236587D+01
|
|
1 3 3 5 0.35947888922948D+00 0.59481343017819D-04
|
|
2 3 3 5 0.33322475668310D+01 -0.15175563622860D-15
|
|
3 3 3 5 -0.71518868275668D+00 0.42408712218977D-05
|
|
1 4 3 5 0.33322475668310D+01 0.25525653132007D-16
|
|
2 4 3 5 0.35947888922949D+00 0.59481343017819D-04
|
|
3 4 3 5 -0.71518868275669D+00 0.42408712219432D-05
|
|
1 5 3 5 0.49418804688058D+00 -0.44667954745977D-04
|
|
2 5 3 5 0.49418804688058D+00 -0.44667954745977D-04
|
|
3 5 3 5 0.14187817211151D+02 -0.41032337100131D-17
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 5.00000000E-01 2.50000000E-01 2.50000000E-01 1.0
|
|
1 1 1 1 0.48766345310146D+01 -0.20647143059684D-18
|
|
2 1 1 1 -0.16148649047285D-14 0.00000000000000D+00
|
|
3 1 1 1 0.35028371313362D-14 0.00000000000000D+00
|
|
1 2 1 1 -0.33728560511347D-14 0.50101022345185D-14
|
|
2 2 1 1 -0.35117909642948D+01 -0.18433221862979D-04
|
|
3 2 1 1 -0.35117909642947D+01 -0.18433221862511D-04
|
|
1 3 1 1 0.48231741699527D-14 0.57600443210464D-14
|
|
2 3 1 1 0.54009115160436D+00 -0.54038415024099D+00
|
|
3 3 1 1 0.56682279979620D+00 -0.56678383404773D+00
|
|
1 4 1 1 0.79297206666394D-04 -0.14677783350292D+01
|
|
2 4 1 1 -0.15683433875622D-18 -0.93553093044199D-15
|
|
3 4 1 1 -0.15683387888778D-18 0.19939407200633D-14
|
|
1 5 1 1 0.48231355252077D-14 0.57602475880287D-14
|
|
2 5 1 1 0.56682279979606D+00 -0.56678383404761D+00
|
|
3 5 1 1 0.54009115160435D+00 -0.54038415024098D+00
|
|
1 1 2 1 -0.16148649047285D-14 0.00000000000000D+00
|
|
2 1 2 1 0.32979116003122D+01 -0.29458231635842D-16
|
|
3 1 2 1 0.22015972377066D+00 0.00000000000000D+00
|
|
1 2 2 1 -0.31585134470719D+01 -0.20841098555945D-03
|
|
2 2 2 1 -0.28436116760506D-15 -0.14770670534593D-14
|
|
3 2 2 1 -0.60908401506635D-15 0.51963902308130D-14
|
|
1 3 2 1 0.19403554550558D+00 -0.19385616441053D+00
|
|
2 3 2 1 0.13366402473463D-14 0.30017045737428D-14
|
|
3 3 2 1 0.15425710512409D-14 0.11085825022502D-15
|
|
1 4 2 1 -0.15683433875622D-18 -0.93553093044199D-15
|
|
2 4 2 1 0.16506213889171D-03 0.12994833262730D+00
|
|
3 4 2 1 -0.17941602393657D-03 -0.42013387095221D+00
|
|
1 5 2 1 0.60044673555582D+00 -0.60036630030480D+00
|
|
2 5 2 1 0.23452134990962D-15 0.33876572787212D-15
|
|
3 5 2 1 0.17179275653493D-14 0.15021572991640D-14
|
|
1 1 3 1 0.35028371313362D-14 0.00000000000000D+00
|
|
2 1 3 1 0.22015972377066D+00 0.00000000000000D+00
|
|
3 1 3 1 0.32979116003125D+01 0.79378779604791D-17
|
|
1 2 3 1 -0.31585134470718D+01 -0.20841098555898D-03
|
|
2 2 3 1 -0.60908422020714D-15 0.51963902308130D-14
|
|
3 2 3 1 -0.28436135234505D-15 -0.14770678038768D-14
|
|
1 3 3 1 0.60044673555595D+00 -0.60036630030493D+00
|
|
2 3 3 1 0.15425685101421D-14 0.11085486209323D-15
|
|
3 3 3 1 0.18997918240167D-14 0.20041009988687D-14
|
|
1 4 3 1 -0.15683387888778D-18 0.19939407200633D-14
|
|
2 4 3 1 -0.17941602393657D-03 -0.42013387095221D+00
|
|
3 4 3 1 0.16506213889155D-03 0.12994833262730D+00
|
|
1 5 3 1 0.19403554550558D+00 -0.19385616441052D+00
|
|
2 5 3 1 0.17179301064481D-14 0.15021606872958D-14
|
|
3 5 3 1 0.32097843471438D-14 0.54997063793354D-14
|
|
1 1 1 2 -0.33728560511347D-14 -0.50101022345185D-14
|
|
2 1 1 2 -0.31584558138849D+01 0.19664560144367D-03
|
|
3 1 1 2 -0.31584558138848D+01 0.19664560144320D-03
|
|
1 2 1 2 0.20278638555283D+02 -0.29731886005945D-18
|
|
2 2 1 2 -0.15298710735952D-14 0.00000000000000D+00
|
|
3 2 1 2 0.59913997003497D-14 0.00000000000000D+00
|
|
1 3 1 2 -0.17387485701826D+01 0.17386881981038D+01
|
|
2 3 1 2 -0.21789722665067D-14 -0.10478864068465D-14
|
|
3 3 1 2 0.11996444629405D-14 -0.90897682344578D-15
|
|
1 4 1 2 0.78828397862514D-14 0.12049126376425D-13
|
|
2 4 1 2 -0.15900579032614D-04 0.15599500026731D+00
|
|
3 4 1 2 -0.15900579032614D-04 0.15599500026730D+00
|
|
1 5 1 2 -0.17387485701826D+01 0.17386881981039D+01
|
|
2 5 1 2 0.81328054843974D-15 0.21152055571210D-14
|
|
3 5 1 2 0.13182264479763D-14 0.20590021079747D-14
|
|
1 1 2 2 -0.35118111575173D+01 0.14800831814618D-04
|
|
2 1 2 2 -0.28436116760506D-15 0.14770670534593D-14
|
|
3 1 2 2 -0.60908422020714D-15 -0.51963902308130D-14
|
|
1 2 2 2 -0.15298710735952D-14 0.00000000000000D+00
|
|
2 2 2 2 0.13548008650188D+02 -0.42419853555612D-16
|
|
3 2 2 2 0.12867039325594D+01 0.00000000000000D+00
|
|
1 3 2 2 -0.21789722665067D-14 -0.10478864068465D-14
|
|
2 3 2 2 -0.27691656197166D+01 0.27691798341340D+01
|
|
3 3 2 2 -0.35164562048916D-01 0.35145728907423D-01
|
|
1 4 2 2 0.37592366312963D-04 0.23233039938667D+01
|
|
2 4 2 2 0.53130411209627D-14 -0.34874620925022D-14
|
|
3 4 2 2 0.45149862301843D-15 0.83780073221247D-16
|
|
1 5 2 2 0.81328054843974D-15 0.21152055571210D-14
|
|
2 5 2 2 -0.85661690546130D+00 0.85672915491604D+00
|
|
3 5 2 2 -0.11948223881562D+01 0.11945271650222D+01
|
|
1 1 3 2 -0.35118111575172D+01 0.14800831814150D-04
|
|
2 1 3 2 -0.60908401506635D-15 -0.51963902308130D-14
|
|
3 1 3 2 -0.28436135234505D-15 0.14770678038768D-14
|
|
1 2 3 2 0.59913997003497D-14 0.00000000000000D+00
|
|
2 2 3 2 0.12867039325594D+01 0.00000000000000D+00
|
|
3 2 3 2 0.13548008650188D+02 0.11430544263090D-16
|
|
1 3 3 2 0.11996444629405D-14 -0.90897682344578D-15
|
|
2 3 3 2 -0.11948223881563D+01 0.11945271650222D+01
|
|
3 3 3 2 -0.85661690546132D+00 0.85672915491605D+00
|
|
1 4 3 2 0.37592366312963D-04 0.23233039938666D+01
|
|
2 4 3 2 0.45149819950196D-15 0.83780073221247D-16
|
|
3 4 3 2 0.53130487442583D-14 -0.35421059535931D-14
|
|
1 5 3 2 0.13182264479763D-14 0.20590021079747D-14
|
|
2 5 3 2 -0.35164562048901D-01 0.35145728907420D-01
|
|
3 5 3 2 -0.27691656197166D+01 0.27691798341340D+01
|
|
1 1 1 3 0.48231741699527D-14 -0.57600453798376D-14
|
|
2 1 1 3 0.19403554550719D+00 0.19385616441037D+00
|
|
3 1 1 3 0.60044673555595D+00 0.60036630030493D+00
|
|
1 2 1 3 -0.17386943611385D+01 -0.17386278153455D+01
|
|
2 2 1 3 -0.21789722665067D-14 0.10478864068465D-14
|
|
3 2 1 3 0.11996444629405D-14 0.90897682344578D-15
|
|
1 3 1 3 0.30534946322778D+01 0.19117893351143D-15
|
|
2 3 1 3 -0.93664954914100D-15 0.12960249563455D-17
|
|
3 3 1 3 0.12570816702161D-14 0.16254397119219D-15
|
|
1 4 1 3 0.16025198434909D-14 0.30386579200053D-14
|
|
2 4 1 3 0.13938331654573D+01 -0.13937957862438D+01
|
|
3 4 1 3 0.12098734007230D+00 -0.12094089001267D+00
|
|
1 5 1 3 0.63108886258189D+00 0.55017492805028D-16
|
|
2 5 1 3 -0.56131855826519D-15 0.33758578058929D-16
|
|
3 5 1 3 0.11963644320380D-14 0.35710141693481D-16
|
|
1 1 2 3 0.54010256627486D+00 0.54039632451328D+00
|
|
2 1 2 3 0.13366402473463D-14 -0.30017045737428D-14
|
|
3 1 2 3 0.15425685101421D-14 -0.11085486209323D-15
|
|
1 2 2 3 -0.21789722665067D-14 0.10478864068465D-14
|
|
2 2 2 3 -0.27691656197240D+01 -0.27691798341356D+01
|
|
3 2 2 3 -0.11948223881563D+01 -0.11945271650222D+01
|
|
1 3 2 3 -0.93664954914100D-15 0.12960249563455D-17
|
|
2 3 2 3 0.13489266554938D+02 0.20620059178679D-16
|
|
3 3 2 3 0.28633364967695D+00 -0.40174133153654D-03
|
|
1 4 2 3 0.26565315184989D+01 -0.26565306303917D+01
|
|
2 4 2 3 -0.64030910526860D-15 0.17951403135365D-14
|
|
3 4 2 3 0.98912057846040D-15 0.88340878375093D-15
|
|
1 5 2 3 -0.56131855826519D-15 0.33758578058929D-16
|
|
2 5 2 3 -0.94062441332666D+00 -0.41404348741419D-05
|
|
3 5 2 3 0.27263213013139D+01 -0.19422795732627D-15
|
|
1 1 3 3 0.56680635322393D+00 0.56676329117943D+00
|
|
2 1 3 3 0.15425710512409D-14 -0.11085825022502D-15
|
|
3 1 3 3 0.18997918240167D-14 -0.20041009988687D-14
|
|
1 2 3 3 0.11996444629405D-14 0.90897682344578D-15
|
|
2 2 3 3 -0.35164562049374D-01 -0.35145728907091D-01
|
|
3 2 3 3 -0.85661690546132D+00 -0.85672915491605D+00
|
|
1 3 3 3 0.12570816702161D-14 0.16254397119219D-15
|
|
2 3 3 3 0.28633364967858D+00 0.40174133278374D-03
|
|
3 3 3 3 0.26370102666947D+01 0.15898274890369D-15
|
|
1 4 3 3 0.14680625096007D+00 -0.14681771501954D+00
|
|
2 4 3 3 0.98911295516388D-15 0.88340878375093D-15
|
|
3 4 3 3 0.20709287228259D-14 0.30700773880538D-14
|
|
1 5 3 3 0.11963644320380D-14 0.35710141693481D-16
|
|
2 5 3 3 0.12706824305127D+01 -0.19422795732627D-15
|
|
3 5 3 3 -0.94062441332666D+00 0.41404348744070D-05
|
|
1 1 1 4 0.79297210630688D-04 0.14677783350319D+01
|
|
2 1 1 4 -0.15683433875622D-18 0.93553093044199D-15
|
|
3 1 1 4 -0.15683387888778D-18 -0.19939407200633D-14
|
|
1 2 1 4 0.78828397862514D-14 -0.12049126376425D-13
|
|
2 2 1 4 0.26803130424089D-04 -0.23233249851419D+01
|
|
3 2 1 4 0.26803130424089D-04 -0.23233249851419D+01
|
|
1 3 1 4 0.16025194464442D-14 -0.30386579200053D-14
|
|
2 3 1 4 0.26565566438234D+01 0.26565539535886D+01
|
|
3 3 1 4 0.14684799441774D+00 0.14680214272431D+00
|
|
1 4 1 4 0.17744823494015D+02 -0.74329715014862D-19
|
|
2 4 1 4 -0.74239166368844D-15 0.00000000000000D+00
|
|
3 4 1 4 0.11148130309558D-14 0.00000000000000D+00
|
|
1 5 1 4 0.14576208813781D-14 -0.28939045019756D-14
|
|
2 5 1 4 0.14684799441774D+00 0.14680214272431D+00
|
|
3 5 1 4 0.26565566438233D+01 0.26565539535885D+01
|
|
1 1 2 4 -0.15683433875622D-18 0.93553093044199D-15
|
|
2 1 2 4 0.16506213886719D-03 -0.12994833262772D+00
|
|
3 1 2 4 -0.17941602393657D-03 0.42013387095221D+00
|
|
1 2 2 4 -0.81314491885141D-05 -0.15599857569799D+00
|
|
2 2 2 4 0.53130411209627D-14 0.34874620925022D-14
|
|
3 2 2 4 0.45149819950196D-15 -0.83780073221247D-16
|
|
1 3 2 4 0.13938331654572D+01 0.13937957862437D+01
|
|
2 3 2 4 -0.64030910526860D-15 -0.17951403135365D-14
|
|
3 3 2 4 0.98911295516388D-15 -0.88340878375093D-15
|
|
1 4 2 4 -0.74239166368844D-15 0.00000000000000D+00
|
|
2 4 2 4 0.29280085393330D+01 -0.10604963388903D-16
|
|
3 4 2 4 0.25787018091494D+00 0.00000000000000D+00
|
|
1 5 2 4 0.12098734007230D+00 0.12094089001266D+00
|
|
2 5 2 4 0.18010176620480D-14 -0.15513797772387D-14
|
|
3 5 2 4 0.93887418251222D-15 -0.85918793312914D-15
|
|
1 1 3 4 -0.15683387888778D-18 -0.19939407200633D-14
|
|
2 1 3 4 -0.17941602393657D-03 0.42013387095221D+00
|
|
3 1 3 4 0.16506213886703D-03 -0.12994833262772D+00
|
|
1 2 3 4 -0.81314491885141D-05 -0.15599857569799D+00
|
|
2 2 3 4 0.45149862301843D-15 -0.83780073221247D-16
|
|
3 2 3 4 0.53130487442583D-14 0.35421059535931D-14
|
|
1 3 3 4 0.12098734007230D+00 0.12094089001267D+00
|
|
2 3 3 4 0.98912057846040D-15 -0.88340878375093D-15
|
|
3 3 3 4 0.20709287228259D-14 -0.30700773880538D-14
|
|
1 4 3 4 0.11148130309558D-14 0.00000000000000D+00
|
|
2 4 3 4 0.25787018091494D+00 0.00000000000000D+00
|
|
3 4 3 4 0.29280085393330D+01 0.28576360657725D-17
|
|
1 5 3 4 0.13938331654571D+01 0.13937957862436D+01
|
|
2 5 3 4 0.93886486514980D-15 -0.85918793312914D-15
|
|
3 5 3 4 -0.79594084500420D-15 -0.16394696956672D-14
|
|
1 1 1 5 0.48231355252077D-14 -0.57602488585782D-14
|
|
2 1 1 5 0.60044673555582D+00 0.60036630030480D+00
|
|
3 1 1 5 0.19403554550719D+00 0.19385616441037D+00
|
|
1 2 1 5 -0.17386943611385D+01 -0.17386278153456D+01
|
|
2 2 1 5 0.81328054843974D-15 -0.21152055571210D-14
|
|
3 2 1 5 0.13182264479763D-14 -0.20590021079747D-14
|
|
1 3 1 5 0.63108886258189D+00 -0.55017492805028D-16
|
|
2 3 1 5 -0.56131855826519D-15 -0.33758578058929D-16
|
|
3 3 1 5 0.11963644320380D-14 -0.35710141693481D-16
|
|
1 4 1 5 0.14576216754715D-14 0.28939045019756D-14
|
|
2 4 1 5 0.12098734007230D+00 -0.12094089001266D+00
|
|
3 4 1 5 0.13938331654572D+01 -0.13937957862437D+01
|
|
1 5 1 5 0.30534946322764D+01 0.19117893351143D-15
|
|
2 5 1 5 -0.49319118104924D-15 0.16254399305925D-15
|
|
3 5 1 5 0.78296989293558D-15 0.12960030892816D-17
|
|
1 1 2 5 0.56680635322379D+00 0.56676329117932D+00
|
|
2 1 2 5 0.23452134990962D-15 -0.33876572787212D-15
|
|
3 1 2 5 0.17179301064481D-14 -0.15021606872958D-14
|
|
1 2 2 5 0.81328054843974D-15 -0.21152055571210D-14
|
|
2 2 2 5 -0.85661690546130D+00 -0.85672915491604D+00
|
|
3 2 2 5 -0.35164562049360D-01 -0.35145728907087D-01
|
|
1 3 2 5 -0.56131855826519D-15 -0.33758578058929D-16
|
|
2 3 2 5 -0.94062441332666D+00 0.41404348741419D-05
|
|
3 3 2 5 0.12706824305127D+01 0.19422795732627D-15
|
|
1 4 2 5 0.14680625096006D+00 -0.14681771501954D+00
|
|
2 4 2 5 0.18010176620480D-14 0.15513797772387D-14
|
|
3 4 2 5 0.93886486514980D-15 0.85918793312914D-15
|
|
1 5 2 5 -0.49319118104924D-15 0.16254399305925D-15
|
|
2 5 2 5 0.26370102666965D+01 0.17674517201659D-15
|
|
3 5 2 5 0.28633364967858D+00 0.40174133278374D-03
|
|
1 1 3 5 0.54010256627485D+00 0.54039632451328D+00
|
|
2 1 3 5 0.17179275653493D-14 -0.15021572991640D-14
|
|
3 1 3 5 0.32097843471438D-14 -0.54997063793354D-14
|
|
1 2 3 5 0.13182264479763D-14 -0.20590021079747D-14
|
|
2 2 3 5 -0.11948223881562D+01 -0.11945271650222D+01
|
|
3 2 3 5 -0.27691656197240D+01 -0.27691798341356D+01
|
|
1 3 3 5 0.11963644320380D-14 -0.35710141693481D-16
|
|
2 3 3 5 0.27263213013139D+01 0.19422795732627D-15
|
|
3 3 3 5 -0.94062441332666D+00 -0.41404348744070D-05
|
|
1 4 3 5 0.26565315184989D+01 -0.26565306303916D+01
|
|
2 4 3 5 0.93887418251222D-15 0.85918793312914D-15
|
|
3 4 3 5 -0.79594084500420D-15 0.16394696956672D-14
|
|
1 5 3 5 0.78296989293558D-15 0.12960030892816D-17
|
|
2 5 3 5 0.28633364967695D+00 -0.40174133153654D-03
|
|
3 5 3 5 0.13489266554937D+02 0.34082658633355D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 5.00000000E-01 5.00000000E-01 2.50000000E-01 1.0
|
|
1 1 1 1 0.42208533184318D+01 -0.17541176621293D-17
|
|
2 1 1 1 -0.37470837543171D-15 0.00000000000000D+00
|
|
3 1 1 1 -0.47048735514973D-15 0.00000000000000D+00
|
|
1 2 1 1 -0.87485503959104D-15 -0.83688596087779D-14
|
|
2 2 1 1 -0.30908316622339D+01 -0.30908240095915D+01
|
|
3 2 1 1 -0.38218299647184D-14 0.30044485889619D-14
|
|
1 3 1 1 0.64886250749855D-14 0.57606665195620D-14
|
|
2 3 1 1 0.18230560072024D-14 -0.19250734896333D-14
|
|
3 3 1 1 0.35136217173992D+00 -0.35131850897979D+00
|
|
1 4 1 1 0.20550873663083D-14 0.30973166812432D-14
|
|
2 4 1 1 -0.12320815537165D-14 0.12127517583506D-14
|
|
3 4 1 1 0.86828910407538D-15 0.68645681138032D-15
|
|
1 5 1 1 0.14927000221643D-14 0.80074771363864D-19
|
|
2 5 1 1 0.11079663991759D+01 0.50180050244966D-05
|
|
3 5 1 1 0.28115196351515D-14 0.84464392920154D-15
|
|
1 1 2 1 -0.37470837543171D-15 0.00000000000000D+00
|
|
2 1 2 1 0.42208533184314D+01 -0.18078416115779D-17
|
|
3 1 2 1 -0.37458072274019D-14 0.00000000000000D+00
|
|
1 2 2 1 -0.30908316622339D+01 -0.30908240095915D+01
|
|
2 2 2 1 0.34013947580553D-15 -0.65293646360749D-14
|
|
3 2 2 1 -0.81030804968674D-14 0.16651949078765D-14
|
|
1 3 2 1 0.18230555836859D-14 -0.19250730661168D-14
|
|
2 3 2 1 0.52931676062184D-14 0.57108964978391D-14
|
|
3 3 2 1 -0.51772077191217D-16 -0.34421995551815D-16
|
|
1 4 2 1 -0.12320815537165D-14 0.12127517583506D-14
|
|
2 4 2 1 0.60955010727137D-14 0.45348752627331D-14
|
|
3 4 2 1 0.35136217173992D+00 -0.35131850897978D+00
|
|
1 5 2 1 0.11079663991759D+01 0.50180050244966D-05
|
|
2 5 2 1 -0.59802074451354D-15 0.86378929986958D-19
|
|
3 5 2 1 -0.17033421634060D-15 0.84432779483822D-15
|
|
1 1 3 1 -0.47048735514973D-15 0.00000000000000D+00
|
|
2 1 3 1 -0.37458072274019D-14 0.00000000000000D+00
|
|
3 1 3 1 0.30359252991532D+01 -0.29157968750096D-16
|
|
1 2 3 1 -0.38218349410369D-14 0.30044458361048D-14
|
|
2 2 3 1 -0.81030853673069D-14 0.16651925785359D-14
|
|
3 2 3 1 0.30463084517001D-14 -0.69456965821982D-14
|
|
1 3 3 1 0.40332895950131D+00 -0.40331539021270D+00
|
|
2 3 3 1 -0.51772077191217D-16 -0.34421995551815D-16
|
|
3 3 3 1 0.19000187911756D-14 -0.49328300330345D-15
|
|
1 4 3 1 0.86828910407538D-15 0.68645681138032D-15
|
|
2 4 3 1 0.40332895950130D+00 -0.40331539021270D+00
|
|
3 4 3 1 0.12432746861347D-15 0.22902696315466D-15
|
|
1 5 3 1 0.28115297995469D-14 0.84462529447670D-15
|
|
2 5 3 1 -0.17032066381345D-15 0.84431508934401D-15
|
|
3 5 3 1 -0.32770471446509D-15 -0.45124178571716D-18
|
|
1 1 1 2 -0.87485503959104D-15 0.83688596087779D-14
|
|
2 1 1 2 -0.30908316622339D+01 0.30908240095915D+01
|
|
3 1 1 2 -0.38218349410369D-14 -0.30044424479730D-14
|
|
1 2 1 2 0.19788124885426D+02 -0.28596154943673D-14
|
|
2 2 1 2 0.25595432859218D-15 -0.18342676040949D-14
|
|
3 2 1 2 0.26981243980990D-15 -0.19432086804314D-14
|
|
1 3 1 2 0.80049561399281D-14 -0.27196705868555D-15
|
|
2 3 1 2 -0.87723104458032D-16 -0.54527831020657D-16
|
|
3 3 1 2 0.00000000000000D+00 0.23377160599961D-15
|
|
1 4 1 2 0.78821849719014D-14 0.13194700330974D-13
|
|
2 4 1 2 -0.88550383574319D-16 0.36502608042739D-14
|
|
3 4 1 2 -0.87195346906104D-05 -0.25540872119535D+00
|
|
1 5 1 2 -0.14785831268703D+01 0.14785768265862D+01
|
|
2 5 1 2 -0.18781242898009D-14 0.18617265789753D-14
|
|
3 5 1 2 0.83423781650202D-15 0.90368241476208D-15
|
|
1 1 2 2 -0.30908316622339D+01 0.30908240095915D+01
|
|
2 1 2 2 0.34013947580553D-15 0.65293646360749D-14
|
|
3 1 2 2 -0.81030853673069D-14 -0.16651889786459D-14
|
|
1 2 2 2 0.25595432859218D-15 -0.18342676040949D-14
|
|
2 2 2 2 0.19788124885426D+02 -0.28596928568545D-14
|
|
3 2 2 2 -0.47227834240002D-14 -0.19431973638927D-14
|
|
1 3 2 2 -0.87723316216268D-16 -0.54527831020657D-16
|
|
2 3 2 2 0.73855877521997D-14 0.13251440993316D-13
|
|
3 3 2 2 -0.87195346906104D-05 -0.25540872119537D+00
|
|
1 4 2 2 -0.88550171816083D-16 0.36502608042739D-14
|
|
2 4 2 2 0.92986158724875D-14 -0.38524022601785D-14
|
|
3 4 2 2 0.00000000000000D+00 -0.21560672347170D-15
|
|
1 5 2 2 -0.18781242898009D-14 0.18617265789753D-14
|
|
2 5 2 2 -0.14785831268703D+01 0.14785768265862D+01
|
|
3 5 2 2 -0.31657644234451D-16 -0.30691027962694D-14
|
|
1 1 3 2 -0.38218303882349D-14 -0.30044485889619D-14
|
|
2 1 3 2 -0.81030809203839D-14 -0.16651949078765D-14
|
|
3 1 3 2 0.30463084517001D-14 0.69456965821982D-14
|
|
1 2 3 2 0.26981243980990D-15 -0.19432086804314D-14
|
|
2 2 3 2 -0.47227834240002D-14 -0.19431973638927D-14
|
|
3 2 3 2 0.13343959317616D+02 -0.25399892804067D-14
|
|
1 3 3 2 0.00000000000000D+00 0.23377160599961D-15
|
|
2 3 3 2 -0.29742041184034D-04 0.20110327505292D+01
|
|
3 3 3 2 0.72933401306211D-14 -0.26287390742097D-14
|
|
1 4 3 2 -0.29742041184034D-04 0.20110327505292D+01
|
|
2 4 3 2 0.00000000000000D+00 -0.21560672347170D-15
|
|
3 4 3 2 0.53133546310088D-14 -0.24570323701360D-14
|
|
1 5 3 2 0.83423781650202D-15 0.90368241476208D-15
|
|
2 5 3 2 -0.31657644234451D-16 -0.30691027962694D-14
|
|
3 5 3 2 -0.25150697197785D+01 0.25151910971391D+01
|
|
1 1 1 3 0.64886250749855D-14 -0.57606665195620D-14
|
|
2 1 1 3 0.18230555836859D-14 0.19250730661168D-14
|
|
3 1 1 3 0.40333760590428D+00 0.40330327246436D+00
|
|
1 2 1 3 0.80049561399281D-14 0.27196705868555D-15
|
|
2 2 1 3 -0.87723316216268D-16 0.54527831020657D-16
|
|
3 2 1 3 0.00000000000000D+00 -0.23377160599961D-15
|
|
1 3 1 3 0.29666213366763D+01 0.19062178086808D-15
|
|
2 3 1 3 -0.49019319859415D-15 0.00000000000000D+00
|
|
3 3 1 3 -0.17331514491885D-15 0.16140045829611D-15
|
|
1 4 1 3 -0.89562001329861D-15 -0.33423254012797D-17
|
|
2 4 1 3 0.27447269539054D+01 0.51046479182791D-16
|
|
3 4 1 3 -0.16869159844919D-14 -0.46677285990581D-15
|
|
1 5 1 3 0.18583919569217D-14 -0.13579514936157D-14
|
|
2 5 1 3 0.73643309260749D-15 0.68167779687093D-15
|
|
3 5 1 3 -0.45364450746698D-15 0.34747247771566D-15
|
|
1 1 2 3 0.18230560072024D-14 0.19250734896333D-14
|
|
2 1 2 3 0.52931676062184D-14 -0.57108964978391D-14
|
|
3 1 2 3 -0.51772077191217D-16 0.34421995551815D-16
|
|
1 2 2 3 -0.87723104458032D-16 0.54527831020657D-16
|
|
2 2 2 3 0.73855877521997D-14 -0.13251440993316D-13
|
|
3 2 2 3 -0.35263791663644D-05 -0.20109786708299D+01
|
|
1 3 2 3 -0.49019319859415D-15 0.00000000000000D+00
|
|
2 3 2 3 0.16928808202366D+02 0.28622635676941D-16
|
|
3 3 2 3 -0.11241226221510D-14 0.00000000000000D+00
|
|
1 4 2 3 0.46307469716941D+01 0.51046902699265D-16
|
|
2 4 2 3 0.35881244670813D-15 -0.84689631614476D-17
|
|
3 4 2 3 0.10219036540900D-15 0.50285382154784D-15
|
|
1 5 2 3 0.73643266909102D-15 0.68167779687093D-15
|
|
2 5 2 3 0.27209231247648D-14 -0.36573023376981D-14
|
|
3 5 2 3 0.23333967069175D+01 0.23334102806544D+01
|
|
1 1 3 3 0.35136217173881D+00 0.35131850898058D+00
|
|
2 1 3 3 -0.51772077191217D-16 0.34421995551815D-16
|
|
3 1 3 3 0.19000187911756D-14 0.49328130923755D-15
|
|
1 2 3 3 0.00000000000000D+00 -0.23377160599961D-15
|
|
2 2 3 3 -0.87195346906104D-05 0.25540872119537D+00
|
|
3 2 3 3 0.72933469068847D-14 0.26287390742097D-14
|
|
1 3 3 3 -0.17331514491885D-15 0.16140045829611D-15
|
|
2 3 3 3 -0.11241226221510D-14 0.00000000000000D+00
|
|
3 3 3 3 0.28151863706585D+01 0.17685326665546D-15
|
|
1 4 3 3 -0.16869188961677D-14 -0.46677116583992D-15
|
|
2 4 3 3 0.10219290650784D-15 0.50285551561374D-15
|
|
3 4 3 3 0.19662289220652D-15 -0.26566007942806D-17
|
|
1 5 3 3 -0.45364450746698D-15 0.34747247771566D-15
|
|
2 5 3 3 0.12371652950332D+01 0.12371662503590D+01
|
|
3 5 3 3 0.63701632721574D-15 -0.20729958926142D-14
|
|
1 1 1 4 0.20550873663083D-14 -0.30973166812432D-14
|
|
2 1 1 4 -0.12320815537165D-14 -0.12127517583506D-14
|
|
3 1 1 4 0.86828910407538D-15 -0.68645681138032D-15
|
|
1 2 1 4 0.78821849719014D-14 -0.13194700330974D-13
|
|
2 2 1 4 -0.88550171816083D-16 -0.36502608042739D-14
|
|
3 2 1 4 -0.35263791663644D-05 -0.20109786708299D+01
|
|
1 3 1 4 -0.89562001329861D-15 0.33423254012797D-17
|
|
2 3 1 4 0.46307469716941D+01 -0.51046902699265D-16
|
|
3 3 1 4 -0.16869188961677D-14 0.46677116583992D-15
|
|
1 4 1 4 0.16928808202367D+02 0.28641976298742D-16
|
|
2 4 1 4 -0.29593531314159D-15 0.00000000000000D+00
|
|
3 4 1 4 -0.31558378417915D-15 0.00000000000000D+00
|
|
1 5 1 4 0.34563974553456D-14 -0.38931767390612D-14
|
|
2 5 1 4 -0.11667539007593D-14 -0.10791968749929D-14
|
|
3 5 1 4 0.23333967069175D+01 0.23334102806544D+01
|
|
1 1 2 4 -0.12320815537165D-14 -0.12127517583506D-14
|
|
2 1 2 4 0.60955010727137D-14 -0.45348752627331D-14
|
|
3 1 2 4 0.40333760590428D+00 0.40330327246437D+00
|
|
1 2 2 4 -0.88550383574319D-16 -0.36502608042739D-14
|
|
2 2 2 4 0.92986158724875D-14 0.38524022601785D-14
|
|
3 2 2 4 0.00000000000000D+00 0.21560672347170D-15
|
|
1 3 2 4 0.27447269539054D+01 -0.51046479182791D-16
|
|
2 3 2 4 0.35881244670813D-15 0.84689631614476D-17
|
|
3 3 2 4 0.10219290650784D-15 -0.50285551561374D-15
|
|
1 4 2 4 -0.29593531314159D-15 0.00000000000000D+00
|
|
2 4 2 4 0.29666213366736D+01 0.19060244024627D-15
|
|
3 4 2 4 -0.13231350644583D-14 0.16140328743079D-15
|
|
1 5 2 4 -0.11667535831219D-14 -0.10791968749929D-14
|
|
2 5 2 4 0.34265398468792D-14 -0.31758995472915D-14
|
|
3 5 2 4 0.11254103955876D-15 0.17897876576218D-17
|
|
1 1 3 4 0.86828910407538D-15 -0.68645681138032D-15
|
|
2 1 3 4 0.35136217173880D+00 0.35131850898058D+00
|
|
3 1 3 4 0.12432746861347D-15 -0.22902865722055D-15
|
|
1 2 3 4 -0.87195346906104D-05 0.25540872119535D+00
|
|
2 2 3 4 0.00000000000000D+00 0.21560672347170D-15
|
|
3 2 3 4 0.53133607719977D-14 0.24570323701360D-14
|
|
1 3 3 4 -0.16869159844919D-14 0.46677285990581D-15
|
|
2 3 3 4 0.10219036540900D-15 -0.50285382154784D-15
|
|
3 3 3 4 0.19662289220652D-15 0.26566007942806D-17
|
|
1 4 3 4 -0.31558378417915D-15 0.00000000000000D+00
|
|
2 4 3 4 -0.13231350644583D-14 0.16140328743079D-15
|
|
3 4 3 4 0.28151863706603D+01 0.17685326665546D-15
|
|
1 5 3 4 0.12371652950332D+01 0.12371662503590D+01
|
|
2 5 3 4 0.11254103955876D-15 0.17897876576218D-17
|
|
3 5 3 4 -0.79557037482177D-15 -0.11400092418261D-14
|
|
1 1 1 5 0.14927000221643D-14 -0.80074771363864D-19
|
|
2 1 1 5 0.11079663991759D+01 -0.50180050244966D-05
|
|
3 1 1 5 0.28115264114151D-14 -0.84462698854260D-15
|
|
1 2 1 5 -0.14785831268747D+01 -0.14785768265841D+01
|
|
2 2 1 5 -0.18781242898009D-14 -0.18617265789753D-14
|
|
3 2 1 5 0.83423781650202D-15 -0.90368241476208D-15
|
|
1 3 1 5 0.18583919569217D-14 0.13579514936157D-14
|
|
2 3 1 5 0.73643266909102D-15 -0.68167779687093D-15
|
|
3 3 1 5 -0.45364450746698D-15 -0.34747247771566D-15
|
|
1 4 1 5 0.34563974553456D-14 0.38931767390612D-14
|
|
2 4 1 5 -0.11667535831219D-14 0.10791968749929D-14
|
|
3 4 1 5 0.12371652950332D+01 -0.12371662503590D+01
|
|
1 5 1 5 0.25912592132458D+01 -0.63148235836654D-18
|
|
2 5 1 5 -0.46734830502392D-16 0.00000000000000D+00
|
|
3 5 1 5 -0.64742692219937D-15 0.00000000000000D+00
|
|
1 1 2 5 0.11079663991759D+01 -0.50180050244966D-05
|
|
2 1 2 5 -0.59802074451354D-15 -0.86378929986958D-19
|
|
3 1 2 5 -0.17032235787934D-15 -0.84431763044286D-15
|
|
1 2 2 5 -0.18781242898009D-14 -0.18617265789753D-14
|
|
2 2 2 5 -0.14785831268747D+01 -0.14785768265841D+01
|
|
3 2 2 5 -0.31657644234451D-16 0.30691027962694D-14
|
|
1 3 2 5 0.73643309260749D-15 -0.68167779687093D-15
|
|
2 3 2 5 0.27209231247648D-14 0.36573023376981D-14
|
|
3 3 2 5 0.12371652950332D+01 -0.12371662503590D+01
|
|
1 4 2 5 -0.11667539007593D-14 0.10791968749929D-14
|
|
2 4 2 5 0.34265398468792D-14 0.31758995472915D-14
|
|
3 4 2 5 0.11254103955876D-15 -0.17897876576218D-17
|
|
1 5 2 5 -0.46734830502392D-16 0.00000000000000D+00
|
|
2 5 2 5 0.25912592132440D+01 -0.65082298016804D-18
|
|
3 5 2 5 -0.66349862304491D-15 0.00000000000000D+00
|
|
1 1 3 5 0.28115264114151D-14 -0.84463715293796D-15
|
|
2 1 3 5 -0.17032574601113D-15 -0.84432440670643D-15
|
|
3 1 3 5 -0.32770471446509D-15 0.45124178571716D-18
|
|
1 2 3 5 0.83423781650202D-15 -0.90368241476208D-15
|
|
2 2 3 5 -0.31657644234451D-16 0.30691027962694D-14
|
|
3 2 3 5 -0.25150697197814D+01 -0.25151910971371D+01
|
|
1 3 3 5 -0.45364450746698D-15 -0.34747247771566D-15
|
|
2 3 3 5 0.23334300345178D+01 -0.23334549011339D+01
|
|
3 3 3 5 0.63701780952339D-15 0.20729958926142D-14
|
|
1 4 3 5 0.23334300345178D+01 -0.23334549011339D+01
|
|
2 4 3 5 0.11254103955876D-15 -0.17897876576218D-17
|
|
3 4 3 5 -0.79556889251411D-15 0.11400092418261D-14
|
|
1 5 3 5 -0.64742692219937D-15 0.00000000000000D+00
|
|
2 5 3 5 -0.66349862304491D-15 0.00000000000000D+00
|
|
3 5 3 5 0.13051032195337D+02 -0.10496868750035D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 5.00000000E-01 5.00000000E-01 5.00000000E-01 1.0
|
|
1 1 1 1 0.37582523444538D+01 0.00000000000000D+00
|
|
2 1 1 1 -0.31752462605665D-15 0.00000000000000D+00
|
|
3 1 1 1 -0.17894120284348D-15 0.00000000000000D+00
|
|
1 2 1 1 -0.42186994675322D-16 0.43172790186030D-15
|
|
2 2 1 1 -0.90079033365359D-14 -0.52439759166865D-14
|
|
3 2 1 1 -0.92341716295914D-14 -0.38945351890517D-15
|
|
1 3 1 1 -0.17271293152689D-15 0.00000000000000D+00
|
|
2 3 1 1 -0.14702080921743D-14 0.00000000000000D+00
|
|
3 3 1 1 0.77305785395076D+00 0.38056945915993D-04
|
|
1 4 1 1 -0.16919179087217D-14 0.00000000000000D+00
|
|
2 4 1 1 0.37247997374662D-16 0.00000000000000D+00
|
|
3 4 1 1 0.64082001427954D-16 0.00000000000000D+00
|
|
1 5 1 1 -0.17271295240264D-15 0.00000000000000D+00
|
|
2 5 1 1 0.77305785395074D+00 0.38056945915993D-04
|
|
3 5 1 1 -0.24632704515790D-14 0.00000000000000D+00
|
|
1 1 2 1 -0.31752462605665D-15 0.00000000000000D+00
|
|
2 1 2 1 0.37582523444536D+01 0.00000000000000D+00
|
|
3 1 2 1 -0.45492185717834D-14 0.00000000000000D+00
|
|
1 2 2 1 -0.90079033012428D-14 -0.52439759166865D-14
|
|
2 2 2 1 -0.76193376027275D-16 -0.11310399684865D-15
|
|
3 2 2 1 -0.93520856585295D-14 -0.10131070818623D-14
|
|
1 3 2 1 -0.14702082333464D-14 0.00000000000000D+00
|
|
2 3 2 1 -0.11917194499836D-15 0.00000000000000D+00
|
|
3 3 2 1 -0.19246152844458D-16 0.00000000000000D+00
|
|
1 4 2 1 0.37248138546820D-16 0.00000000000000D+00
|
|
2 4 2 1 -0.56583691988685D-15 0.00000000000000D+00
|
|
3 4 2 1 0.77305785395087D+00 0.38056945915993D-04
|
|
1 5 2 1 0.77305785395074D+00 0.38056945915993D-04
|
|
2 5 2 1 -0.59798495040141D-15 0.00000000000000D+00
|
|
3 5 2 1 -0.15504233391447D-15 0.00000000000000D+00
|
|
1 1 3 1 -0.17894120284348D-15 0.00000000000000D+00
|
|
2 1 3 1 -0.45492185717834D-14 0.00000000000000D+00
|
|
3 1 3 1 0.37582523444541D+01 0.00000000000000D+00
|
|
1 2 3 1 -0.92341715942984D-14 -0.38945351890517D-15
|
|
2 2 3 1 -0.93520856232365D-14 -0.10131070818623D-14
|
|
3 2 3 1 -0.76193381981976D-16 -0.12448094140797D-15
|
|
1 3 3 1 0.77305785395070D+00 0.38056945915993D-04
|
|
2 3 3 1 -0.19246011672300D-16 0.00000000000000D+00
|
|
3 3 3 1 -0.59798421651836D-15 0.00000000000000D+00
|
|
1 4 3 1 0.64082142600112D-16 0.00000000000000D+00
|
|
2 4 3 1 0.77305785395081D+00 0.38056945915993D-04
|
|
3 4 3 1 0.12432574993974D-15 0.00000000000000D+00
|
|
1 5 3 1 -0.24632705927512D-14 0.00000000000000D+00
|
|
2 5 3 1 -0.15504247508663D-15 0.00000000000000D+00
|
|
3 5 3 1 -0.11917222670494D-15 0.00000000000000D+00
|
|
1 1 1 2 -0.42186994675322D-16 -0.43172790186030D-15
|
|
2 1 1 2 -0.90079033012428D-14 0.52439759166865D-14
|
|
3 1 1 2 -0.92341715942984D-14 0.38945351890517D-15
|
|
1 2 1 2 0.19942773200392D+02 0.00000000000000D+00
|
|
2 2 1 2 0.33828591726619D-15 0.00000000000000D+00
|
|
3 2 1 2 0.68962588870484D-15 0.00000000000000D+00
|
|
1 3 1 2 0.80055912675349D-14 -0.16118460114827D-14
|
|
2 3 1 2 -0.18432287343918D-17 0.42052635564344D-16
|
|
3 3 1 2 0.00000000000000D+00 0.13096166590938D-15
|
|
1 4 1 2 0.78805894009058D-14 0.14474776748913D-13
|
|
2 4 1 2 -0.10476680355867D-16 0.15909232442567D-14
|
|
3 4 1 2 -0.11121070482813D-16 -0.10718777939016D-14
|
|
1 5 1 2 0.80152573127779D-14 -0.12405031321461D-14
|
|
2 5 1 2 0.00000000000000D+00 0.69055502422159D-16
|
|
3 5 1 2 -0.18432272949041D-17 0.61639598401594D-16
|
|
1 1 2 2 -0.90079033365359D-14 0.52439759166865D-14
|
|
2 1 2 2 -0.76193376027275D-16 0.11310399684865D-15
|
|
3 1 2 2 -0.93520856232365D-14 0.10131070818623D-14
|
|
1 2 2 2 0.33828591726619D-15 0.00000000000000D+00
|
|
2 2 2 2 0.19942773200393D+02 0.00000000000000D+00
|
|
3 2 2 2 -0.58797087703357D-14 0.00000000000000D+00
|
|
1 3 2 2 -0.18432287343918D-17 0.42052635564344D-16
|
|
2 3 2 2 0.73830857715014D-14 0.14057700828730D-13
|
|
3 3 2 2 0.26825036936800D-17 -0.12696001351058D-14
|
|
1 4 2 2 -0.10476680355867D-16 0.15909232442567D-14
|
|
2 4 2 2 0.53023840437998D-14 -0.31808512405770D-14
|
|
3 4 2 2 0.00000000000000D+00 0.23157957168523D-16
|
|
1 5 2 2 0.00000000000000D+00 0.69055502422159D-16
|
|
2 5 2 2 0.80098323869475D-14 0.14495174663319D-14
|
|
3 5 2 2 -0.12443174530569D-17 -0.81831459272756D-15
|
|
1 1 3 2 -0.92341716295914D-14 0.38945351890517D-15
|
|
2 1 3 2 -0.93520856585295D-14 0.10131070818623D-14
|
|
3 1 3 2 -0.76193381981976D-16 0.12448094140797D-15
|
|
1 2 3 2 0.68962588870484D-15 0.00000000000000D+00
|
|
2 2 3 2 -0.58797087703357D-14 0.00000000000000D+00
|
|
3 2 3 2 0.19942773200393D+02 0.00000000000000D+00
|
|
1 3 3 2 0.00000000000000D+00 0.13096166590938D-15
|
|
2 3 3 2 0.26825036936800D-17 -0.12696001351058D-14
|
|
3 3 3 2 0.72852038968839D-14 -0.35143752825261D-14
|
|
1 4 3 2 -0.11121070482813D-16 -0.10718777939016D-14
|
|
2 4 3 2 0.00000000000000D+00 0.23157957168523D-16
|
|
3 4 3 2 0.53023840438008D-14 -0.31485393899216D-14
|
|
1 5 3 2 -0.18432272949041D-17 0.61639598401594D-16
|
|
2 5 3 2 -0.12443174530569D-17 -0.81831459272756D-15
|
|
3 5 3 2 0.34058070845140D-14 0.16313104252801D-13
|
|
1 1 1 3 -0.17271293152689D-15 0.00000000000000D+00
|
|
2 1 1 3 -0.14702082333464D-14 0.00000000000000D+00
|
|
3 1 1 3 0.77305785395070D+00 -0.38056945915993D-04
|
|
1 2 1 3 0.80055921145679D-14 0.16118460114827D-14
|
|
2 2 1 3 -0.18432287343918D-17 -0.42052635564344D-16
|
|
3 2 1 3 0.00000000000000D+00 -0.13096166590938D-15
|
|
1 3 1 3 0.25751450865273D+01 0.00000000000000D+00
|
|
2 3 1 3 -0.46961030142564D-15 0.00000000000000D+00
|
|
3 3 1 3 -0.68361782695110D-16 0.00000000000000D+00
|
|
1 4 1 3 0.10362777144157D-15 0.00000000000000D+00
|
|
2 4 1 3 0.24998398052288D+01 0.16628796327560D-04
|
|
3 4 1 3 0.14779622709474D-14 0.00000000000000D+00
|
|
1 5 1 3 0.10151502370132D-14 0.00000000000000D+00
|
|
2 5 1 3 -0.22348883128092D-16 0.00000000000000D+00
|
|
3 5 1 3 -0.38449285560067D-16 0.00000000000000D+00
|
|
1 1 2 3 -0.14702103509288D-14 0.00000000000000D+00
|
|
2 1 2 3 -0.11917194499836D-15 0.00000000000000D+00
|
|
3 1 2 3 -0.19247141049563D-16 0.00000000000000D+00
|
|
1 2 2 3 -0.18432287343918D-17 -0.42052635564344D-16
|
|
2 2 2 3 0.73830857715014D-14 -0.14057700828730D-13
|
|
3 2 2 3 0.26825036936800D-17 0.12696001351058D-14
|
|
1 3 2 3 -0.46961030142564D-15 0.00000000000000D+00
|
|
2 3 2 3 0.16250609380877D+02 0.00000000000000D+00
|
|
3 3 2 3 -0.14133539587349D-14 0.00000000000000D+00
|
|
1 4 2 3 0.41723531837548D+01 0.00000000000000D+00
|
|
2 4 2 3 0.35879097024084D-15 0.00000000000000D+00
|
|
3 4 2 3 0.93026529725948D-16 0.00000000000000D+00
|
|
1 5 2 3 -0.22348883128092D-16 0.00000000000000D+00
|
|
2 5 2 3 0.33950215193209D-15 0.00000000000000D+00
|
|
3 5 2 3 0.41723531837548D+01 0.00000000000000D+00
|
|
1 1 3 3 0.77305785395076D+00 -0.38056945915993D-04
|
|
2 1 3 3 -0.19246152844458D-16 0.00000000000000D+00
|
|
3 1 3 3 -0.59798421651836D-15 0.00000000000000D+00
|
|
1 2 3 3 0.00000000000000D+00 -0.13096166590938D-15
|
|
2 2 3 3 0.26825036936800D-17 0.12696001351058D-14
|
|
3 2 3 3 0.72852047439169D-14 0.35143752729101D-14
|
|
1 3 3 3 -0.68361782695110D-16 0.00000000000000D+00
|
|
2 3 3 3 -0.14133539587349D-14 0.00000000000000D+00
|
|
3 3 3 3 0.25751450865228D+01 0.00000000000000D+00
|
|
1 4 3 3 0.14779634003247D-14 0.00000000000000D+00
|
|
2 4 3 3 0.93025400348685D-16 0.00000000000000D+00
|
|
3 4 3 3 0.71502827803192D-16 0.00000000000000D+00
|
|
1 5 3 3 -0.38449285560067D-16 0.00000000000000D+00
|
|
2 5 3 3 0.24998398052288D+01 0.16628796327560D-04
|
|
3 5 3 3 -0.74595449963852D-16 0.00000000000000D+00
|
|
1 1 1 4 -0.16919179087217D-14 0.00000000000000D+00
|
|
2 1 1 4 0.37245879792294D-16 0.00000000000000D+00
|
|
3 1 1 4 0.64081013222849D-16 0.00000000000000D+00
|
|
1 2 1 4 0.78805894009058D-14 -0.14474776748913D-13
|
|
2 2 1 4 -0.10476680355867D-16 -0.15909232442567D-14
|
|
3 2 1 4 -0.11121070482813D-16 0.10718777939016D-14
|
|
1 3 1 4 0.10362777144157D-15 0.00000000000000D+00
|
|
2 3 1 4 0.41723531837548D+01 0.00000000000000D+00
|
|
3 3 1 4 0.14779634003247D-14 0.00000000000000D+00
|
|
1 4 1 4 0.16250609380878D+02 0.00000000000000D+00
|
|
2 4 1 4 -0.27535241597308D-15 0.00000000000000D+00
|
|
3 4 1 4 -0.21063042195541D-15 0.00000000000000D+00
|
|
1 5 1 4 0.10362775891611D-15 0.00000000000000D+00
|
|
2 5 1 4 0.88212485530455D-15 0.00000000000000D+00
|
|
3 5 1 4 0.41723531837548D+01 0.00000000000000D+00
|
|
1 1 2 4 0.37247997374662D-16 0.00000000000000D+00
|
|
2 1 2 4 -0.56583691988685D-15 0.00000000000000D+00
|
|
3 1 2 4 0.77305785395081D+00 -0.38056945915993D-04
|
|
1 2 2 4 -0.10476680355867D-16 -0.15909232442567D-14
|
|
2 2 2 4 0.53023848908328D-14 0.31808512405770D-14
|
|
3 2 2 4 0.00000000000000D+00 -0.23157957168523D-16
|
|
1 3 2 4 0.24998398052288D+01 0.16628796327560D-04
|
|
2 3 2 4 0.35879097024084D-15 0.00000000000000D+00
|
|
3 3 2 4 0.93025400348685D-16 0.00000000000000D+00
|
|
1 4 2 4 -0.27535241597308D-15 0.00000000000000D+00
|
|
2 4 2 4 0.25751450865246D+01 0.00000000000000D+00
|
|
3 4 2 4 -0.16123664010422D-14 0.00000000000000D+00
|
|
1 5 2 4 0.88212485530455D-15 0.00000000000000D+00
|
|
2 5 2 4 0.71502828185837D-16 0.00000000000000D+00
|
|
3 5 2 4 0.11548736380643D-16 0.00000000000000D+00
|
|
1 1 3 4 0.64082001427954D-16 0.00000000000000D+00
|
|
2 1 3 4 0.77305785395087D+00 -0.38056945915993D-04
|
|
3 1 3 4 0.12432574993974D-15 0.00000000000000D+00
|
|
1 2 3 4 -0.11121070482813D-16 0.10718777939016D-14
|
|
2 2 3 4 0.00000000000000D+00 -0.23157957168523D-16
|
|
3 2 3 4 0.53023848908337D-14 0.31485393899216D-14
|
|
1 3 3 4 0.14779622709474D-14 0.00000000000000D+00
|
|
2 3 3 4 0.93026529725948D-16 0.00000000000000D+00
|
|
3 3 3 4 0.71502827803192D-16 0.00000000000000D+00
|
|
1 4 3 4 -0.21063042195541D-15 0.00000000000000D+00
|
|
2 4 3 4 -0.16123664010422D-14 0.00000000000000D+00
|
|
3 4 3 4 0.25751450865246D+01 0.00000000000000D+00
|
|
1 5 3 4 0.24998398052288D+01 0.16628796327560D-04
|
|
2 5 3 4 0.11547607003380D-16 0.00000000000000D+00
|
|
3 5 3 4 0.35879052991101D-15 0.00000000000000D+00
|
|
1 1 1 5 -0.17271295240264D-15 0.00000000000000D+00
|
|
2 1 1 5 0.77305785395074D+00 -0.38056945915993D-04
|
|
3 1 1 5 -0.24632705927512D-14 0.00000000000000D+00
|
|
1 2 1 5 0.80152581598109D-14 0.12405031225302D-14
|
|
2 2 1 5 0.00000000000000D+00 -0.69055502422159D-16
|
|
3 2 1 5 -0.18432272949041D-17 -0.61639598401594D-16
|
|
1 3 1 5 0.10151502370132D-14 0.00000000000000D+00
|
|
2 3 1 5 -0.22348883128092D-16 0.00000000000000D+00
|
|
3 3 1 5 -0.38449285560067D-16 0.00000000000000D+00
|
|
1 4 1 5 0.10362775891611D-15 0.00000000000000D+00
|
|
2 4 1 5 0.88212485530455D-15 0.00000000000000D+00
|
|
3 4 1 5 0.24998398052288D+01 0.16628796327560D-04
|
|
1 5 1 5 0.25751450865259D+01 0.00000000000000D+00
|
|
2 5 1 5 -0.26151933333880D-16 0.00000000000000D+00
|
|
3 5 1 5 -0.54247355997563D-15 0.00000000000000D+00
|
|
1 1 2 5 0.77305785395074D+00 -0.38056945915993D-04
|
|
2 1 2 5 -0.59798495040141D-15 0.00000000000000D+00
|
|
3 1 2 5 -0.15504247508663D-15 0.00000000000000D+00
|
|
1 2 2 5 0.00000000000000D+00 -0.69055502422159D-16
|
|
2 2 2 5 0.80098332339804D-14 -0.14495174759479D-14
|
|
3 2 2 5 -0.12443174530569D-17 0.81831459272756D-15
|
|
1 3 2 5 -0.22348883128092D-16 0.00000000000000D+00
|
|
2 3 2 5 0.33950215193209D-15 0.00000000000000D+00
|
|
3 3 2 5 0.24998398052288D+01 0.16628796327560D-04
|
|
1 4 2 5 0.88212485530455D-15 0.00000000000000D+00
|
|
2 4 2 5 0.71502828185837D-16 0.00000000000000D+00
|
|
3 4 2 5 0.11547607003380D-16 0.00000000000000D+00
|
|
1 5 2 5 -0.26151933333880D-16 0.00000000000000D+00
|
|
2 5 2 5 0.25751450865246D+01 0.00000000000000D+00
|
|
3 5 2 5 -0.95272995962877D-15 0.00000000000000D+00
|
|
1 1 3 5 -0.24632727103335D-14 0.00000000000000D+00
|
|
2 1 3 5 -0.15504346329174D-15 0.00000000000000D+00
|
|
3 1 3 5 -0.11917222670494D-15 0.00000000000000D+00
|
|
1 2 3 5 -0.18432272949041D-17 -0.61639598401594D-16
|
|
2 2 3 5 -0.12443174530569D-17 0.81831459272756D-15
|
|
3 2 3 5 0.34058070845140D-14 -0.16313104252801D-13
|
|
1 3 3 5 -0.38449285560067D-16 0.00000000000000D+00
|
|
2 3 3 5 0.41723531837548D+01 0.00000000000000D+00
|
|
3 3 3 5 -0.74595449963852D-16 0.00000000000000D+00
|
|
1 4 3 5 0.41723531837548D+01 0.00000000000000D+00
|
|
2 4 3 5 0.11548736380643D-16 0.00000000000000D+00
|
|
3 4 3 5 0.35879052991101D-15 0.00000000000000D+00
|
|
1 5 3 5 -0.54247355997563D-15 0.00000000000000D+00
|
|
2 5 3 5 -0.95272995962877D-15 0.00000000000000D+00
|
|
3 5 3 5 0.16250609380876D+02 0.00000000000000D+00
|
|
|
|
List of bloks and their characteristics
|
|
|
|
Total energy - # elements : 1
|
|
|
|
1st derivatives - # elements : 21
|
|
|
|
2nd derivatives (non-stat.) - # elements : 468
|
|
qpt 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 2.50000000E-01 0.00000000E+00 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 5.00000000E-01 0.00000000E+00 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 2.50000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 5.00000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 5.00000000E-01 5.00000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 2.50000000E-01 2.50000000E-01 2.50000000E-01 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 5.00000000E-01 2.50000000E-01 2.50000000E-01 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 5.00000000E-01 5.00000000E-01 2.50000000E-01 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 225
|
|
qpt 5.00000000E-01 5.00000000E-01 5.00000000E-01 1.0
|