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**** DERIVATIVE DATABASE ****
+DDB, Version number 100401
Nothing
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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
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
0.50000000000000D+00 0.50000000000000D+00 0.00000000000000D+00
0.00000000000000D+00 0.50000000000000D+00 0.50000000000000D+00
znucl 0.38000000000000D+02 0.22000000000000D+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 = 6 lmnmax= 6
Atom type= 1 pspso= 0 nekb= 6
iln lpsang iproj ekb(:)
1 0 1 9.9515977E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
0.0000000E+00 0.0000000E+00
2 0 2 0.0000000E+00 9.1160281E-01 0.0000000E+00 0.0000000E+00
0.0000000E+00 0.0000000E+00
3 1 1 0.0000000E+00 0.0000000E+00 7.4905275E+00 0.0000000E+00
0.0000000E+00 0.0000000E+00
4 1 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 1.6808920E+00
0.0000000E+00 0.0000000E+00
5 2 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
3.9099316E+00 0.0000000E+00
6 2 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
3.9099316E+00 0.0000000E+00
Atom type= 2 pspso= 0 nekb= 6
iln lpsang iproj ekb(:)
1 0 1 1.1321950E+01 0.0000000E+00 0.0000000E+00 0.0000000E+00
0.0000000E+00 0.0000000E+00
2 0 2 0.0000000E+00 1.2544742E+00 0.0000000E+00 0.0000000E+00
0.0000000E+00 0.0000000E+00
3 1 1 0.0000000E+00 0.0000000E+00 1.9468944E+00 0.0000000E+00
0.0000000E+00 0.0000000E+00
4 1 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 -8.4268473E-02
0.0000000E+00 0.0000000E+00
5 2 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
-5.2371047E+00 0.0000000E+00
6 2 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
-5.2371047E+00 0.0000000E+00
Atom type= 3 pspso= 0 nekb= 5
iln lpsang iproj ekb(:)
1 0 1 7.2305446E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
0.0000000E+00
2 0 2 0.0000000E+00 9.9344971E-01 0.0000000E+00 0.0000000E+00
0.0000000E+00
3 1 1 0.0000000E+00 0.0000000E+00 -5.2492221E+00 0.0000000E+00
0.0000000E+00
4 1 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 -1.2932372E+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= 37
Total energy - # elements : 1
-0.14335521008632D+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 -0.10540439238441D-07 0.00000000000000D+00
2 8 -0.10540439236706D-07 0.00000000000000D+00
3 8 -0.10540439231502D-07 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 0.19658265754886D+01 0.00000000000000D+00
2 1 1 1 0.16215191259023D-14 0.00000000000000D+00
3 1 1 1 0.12133167965860D-14 0.00000000000000D+00
1 2 1 1 -0.16714386531758D+01 0.00000000000000D+00
2 2 1 1 -0.69014027212454D-15 0.00000000000000D+00
3 2 1 1 0.14252697297290D-15 0.00000000000000D+00
1 3 1 1 0.19078280307269D+00 0.00000000000000D+00
2 3 1 1 0.28043573404878D-15 0.00000000000000D+00
3 3 1 1 -0.98355745021772D-15 0.00000000000000D+00
1 4 1 1 0.19078280307269D+00 0.00000000000000D+00
2 4 1 1 -0.98355768480095D-15 0.00000000000000D+00
3 4 1 1 -0.89548256924359D-16 0.00000000000000D+00
1 5 1 1 -0.67595986329042D+00 0.00000000000000D+00
2 5 1 1 -0.22825690302555D-15 0.00000000000000D+00
3 5 1 1 -0.28273806241687D-15 0.00000000000000D+00
1 7 1 1 -0.46772574356128D+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 0.16215191259023D-14 0.00000000000000D+00
2 1 2 1 0.19658265754883D+01 0.00000000000000D+00
3 1 2 1 0.11222156928927D-14 0.00000000000000D+00
1 2 2 1 -0.69014027212454D-15 0.00000000000000D+00
2 2 2 1 -0.16714386531758D+01 0.00000000000000D+00
3 2 2 1 -0.53826336277698D-15 0.00000000000000D+00
1 3 2 1 0.28043573404878D-15 0.00000000000000D+00
2 3 2 1 -0.67595986329044D+00 0.00000000000000D+00
3 3 2 1 0.27571915071548D-15 0.00000000000000D+00
1 4 2 1 -0.98355768480095D-15 0.00000000000000D+00
2 4 2 1 0.19078280307272D+00 0.00000000000000D+00
3 4 2 1 -0.81437142850706D-16 0.00000000000000D+00
1 5 2 1 -0.22825690302555D-15 0.00000000000000D+00
2 5 2 1 0.19078280307269D+00 0.00000000000000D+00
3 5 2 1 -0.77823433798054D-15 0.00000000000000D+00
1 7 2 1 0.00000000000000D+00 0.00000000000000D+00
2 7 2 1 -0.46772574356128D+02 0.00000000000000D+00
3 7 2 1 0.00000000000000D+00 0.00000000000000D+00
1 1 3 1 0.12133167965860D-14 0.00000000000000D+00
2 1 3 1 0.11222156928927D-14 0.00000000000000D+00
3 1 3 1 0.19658265754888D+01 0.00000000000000D+00
1 2 3 1 0.14252697297290D-15 0.00000000000000D+00
2 2 3 1 -0.53826336277698D-15 0.00000000000000D+00
3 2 3 1 -0.16714386531758D+01 0.00000000000000D+00
1 3 3 1 -0.98355745021772D-15 0.00000000000000D+00
2 3 3 1 0.27571915071548D-15 0.00000000000000D+00
3 3 3 1 0.19078280307275D+00 0.00000000000000D+00
1 4 3 1 -0.89548256924359D-16 0.00000000000000D+00
2 4 3 1 -0.81437142850706D-16 0.00000000000000D+00
3 4 3 1 -0.67595986329054D+00 0.00000000000000D+00
1 5 3 1 -0.28273806241687D-15 0.00000000000000D+00
2 5 3 1 -0.77823433798054D-15 0.00000000000000D+00
3 5 3 1 0.19078280307269D+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 -0.46772574356128D+02 0.00000000000000D+00
1 1 1 2 -0.16714386531978D+01 0.00000000000000D+00
2 1 1 2 -0.69014027212454D-15 0.00000000000000D+00
3 1 1 2 0.14252697297290D-15 0.00000000000000D+00
1 2 1 2 0.11569303929709D+01 0.00000000000000D+00
2 2 1 2 0.34223415717440D-15 0.00000000000000D+00
3 2 1 2 -0.55258582079222D-15 0.00000000000000D+00
1 3 1 2 0.12672296841832D+00 0.00000000000000D+00
2 3 1 2 -0.35467317700579D-15 0.00000000000000D+00
3 3 1 2 0.33760669758428D-15 0.00000000000000D+00
1 4 1 2 0.12672296841833D+00 0.00000000000000D+00
2 4 1 2 0.27545396101360D-15 0.00000000000000D+00
3 4 1 2 -0.29222313557113D-15 0.00000000000000D+00
1 5 1 2 0.26123999203483D+00 0.00000000000000D+00
2 5 1 2 0.42712533094233D-15 0.00000000000000D+00
3 5 1 2 0.36467528580617D-15 0.00000000000000D+00
1 7 1 2 -0.29628725354082D+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 -0.69014027212454D-15 0.00000000000000D+00
2 1 2 2 -0.16714386531978D+01 0.00000000000000D+00
3 1 2 2 -0.53826336277698D-15 0.00000000000000D+00
1 2 2 2 0.34223415717440D-15 0.00000000000000D+00
2 2 2 2 0.11569303929764D+01 0.00000000000000D+00
3 2 2 2 0.55983437852084D-15 0.00000000000000D+00
1 3 2 2 -0.35467317700579D-15 0.00000000000000D+00
2 3 2 2 0.26123999203483D+00 0.00000000000000D+00
3 3 2 2 -0.32016945836343D-15 0.00000000000000D+00
1 4 2 2 0.27545396101360D-15 0.00000000000000D+00
2 4 2 2 0.12672296841833D+00 0.00000000000000D+00
3 4 2 2 0.53154928972763D-16 0.00000000000000D+00
1 5 2 2 0.42712533094233D-15 0.00000000000000D+00
2 5 2 2 0.12672296841833D+00 0.00000000000000D+00
3 5 2 2 0.24544351364681D-15 0.00000000000000D+00
1 7 2 2 0.00000000000000D+00 0.00000000000000D+00
2 7 2 2 -0.29628725354082D+02 0.00000000000000D+00
3 7 2 2 0.00000000000000D+00 0.00000000000000D+00
1 1 3 2 0.14252697297290D-15 0.00000000000000D+00
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2nd derivatives (non-stat.) - # elements : 225
qpt 1.25000000E-01 0.00000000E+00 0.00000000E+00 1.0
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3 5 3 5 0.23898034083950D+01 0.63856072153022D-18
2nd derivatives (non-stat.) - # elements : 225
qpt 2.50000000E-01 0.00000000E+00 0.00000000E+00 1.0
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2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 0.00000000E+00 0.00000000E+00 1.0
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2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 0.00000000E+00 0.00000000E+00 1.0
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2nd derivatives (non-stat.) - # elements : 225
qpt 1.25000000E-01 1.25000000E-01 0.00000000E+00 1.0
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3 5 3 5 0.24176705628802D+01 -0.24892122292349D-17
2nd derivatives (non-stat.) - # elements : 225
qpt 2.50000000E-01 1.25000000E-01 0.00000000E+00 1.0
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1 3 3 5 0.43313825061423D-15 -0.81177472786342D-15
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2 5 3 5 0.52824370138226D-15 0.00000000000000D+00
3 5 3 5 0.27677898544671D+01 -0.18059610275311D-17
2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 1.25000000E-01 0.00000000E+00 1.0
1 1 1 1 0.49618220947764D+01 -0.89774418963068D-17
2 1 1 1 0.26525300543652D+00 -0.52079484951762D-11
3 1 1 1 0.60948679474042D-15 -0.49038667290613D-19
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3 5 3 5 0.30795331945587D+01 -0.87470975507693D-18
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 1.25000000E-01 0.00000000E+00 1.0
1 1 1 1 0.52442246626217D+01 0.18143700722824D-17
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2nd derivatives (non-stat.) - # elements : 225
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2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 2.50000000E-01 0.00000000E+00 1.0
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2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 2.50000000E-01 0.00000000E+00 1.0
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3 5 3 5 0.32494442402217D+01 0.16351916755479D-18
2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 3.75000000E-01 0.00000000E+00 1.0
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2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 3.75000000E-01 0.00000000E+00 1.0
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2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 5.00000000E-01 0.00000000E+00 1.0
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2nd derivatives (non-stat.) - # elements : 225
qpt 1.25000000E-01 1.25000000E-01 1.25000000E-01 1.0
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2 5 3 5 0.33453799873780D+00 -0.91316652521501D-12
3 5 3 5 0.28370437823469D+01 -0.36097058674370D-17
2nd derivatives (non-stat.) - # elements : 225
qpt 2.50000000E-01 1.25000000E-01 1.25000000E-01 1.0
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3 3 1 3 0.29960715958458D+00 -0.78089482486718D-11
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1 1 2 3 -0.43206137812605D+00 0.10430884388257D+01
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3 1 2 3 -0.18591448838944D+00 0.44883727932505D+00
1 2 2 3 -0.26997564959362D+01 -0.11182757557294D+01
2 2 2 3 -0.16069698347535D+01 -0.66562869986385D+00
3 2 2 3 -0.17894828286854D+01 -0.74122805728035D+00
1 3 2 3 0.82721619310856D+00 -0.19074186596088D-10
2 3 2 3 0.90814948837951D+01 -0.87976524096295D-17
3 3 2 3 0.51771161164640D+00 -0.30757839023197D-10
1 4 2 3 0.63074618724183D+00 0.50959099083793D-12
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3 4 2 3 0.19276869602994D+01 0.24328638013839D-15
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3 5 2 3 0.27537625129289D+00 -0.11406457804063D+00
1 1 3 3 -0.24515046902418D+00 0.59184558713066D+00
2 1 3 3 -0.67273491836467D-01 0.16241257637072D+00
3 1 3 3 -0.29643091426576D-02 0.71564753371313D-02
1 2 3 3 -0.68221836198078D+00 -0.28258409803664D+00
2 2 3 3 -0.53852567594815D+00 -0.22306463866069D+00
3 2 3 3 -0.74011686328295D+00 -0.30656644252467D+00
1 3 3 3 0.29960715959373D+00 0.37907081399923D-11
2 3 3 3 0.51771161167357D+00 0.28987690815576D-10
3 3 3 3 0.27163448296210D+01 -0.96998716324365D-17
1 4 3 3 0.24239869577001D+00 -0.22101242655702D-11
2 4 3 3 0.64550529470496D+00 0.24328638013839D-15
3 4 3 3 -0.21804769903511D+01 0.35632545489968D-11
1 5 3 3 0.62199941815598D+00 -0.25764059478518D+00
2 5 3 3 0.10511766296137D+00 -0.43541161644098D-01
3 5 3 3 0.42645738863357D+00 -0.17664443415124D+00
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2 1 1 4 -0.22453874153002D+00 0.54208447508077D+00
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1 2 1 4 -0.26103838661428D+01 -0.10812564003632D+01
2 2 1 4 -0.73827796750043D+00 -0.30580474694215D+00
3 2 1 4 -0.92437706857919D+00 -0.38288951855026D+00
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2 3 1 4 0.63074618724183D+00 -0.50959099083793D-12
3 3 1 4 0.24239869577001D+00 0.22101242655702D-11
1 4 1 4 0.33180407247055D+01 -0.93663720311281D-17
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3 4 1 4 0.82721619310201D+00 0.10613794051529D-10
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3 5 1 4 0.10585343842351D+01 -0.43845929818984D+00
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2 1 2 4 -0.29643091426522D-02 0.71564753371171D-02
3 1 2 4 -0.67273491836469D-01 0.16241257637072D+00
1 2 2 4 -0.68221836198077D+00 -0.28258409803663D+00
2 2 2 4 -0.74011686328296D+00 -0.30656644252466D+00
3 2 2 4 -0.53852567594817D+00 -0.22306463866069D+00
1 3 2 4 0.24239869577002D+00 -0.22101240060642D-11
2 3 2 4 -0.21804769903511D+01 0.35632399802263D-11
3 3 2 4 0.64550529470496D+00 -0.24328638013839D-15
1 4 2 4 0.29960715959372D+00 0.37907081435164D-11
2 4 2 4 0.27163448296219D+01 -0.87976524096295D-17
3 4 2 4 0.51771161167357D+00 0.28987690815576D-10
1 5 2 4 0.62199941815599D+00 -0.25764059478518D+00
2 5 2 4 0.42645738863358D+00 -0.17664443415124D+00
3 5 2 4 0.10511766296136D+00 -0.43541161644101D-01
1 1 3 4 -0.43206137812605D+00 0.10430884388257D+01
2 1 3 4 -0.18591448838944D+00 0.44883727932504D+00
3 1 3 4 -0.35388728315826D+00 0.85435947853902D+00
1 2 3 4 -0.26997564959362D+01 -0.11182757557294D+01
2 2 3 4 -0.17894828286854D+01 -0.74122805728035D+00
3 2 3 4 -0.16069698347535D+01 -0.66562869986386D+00
1 3 3 4 0.63074618724182D+00 0.50959125034403D-12
2 3 3 4 0.19276869602994D+01 -0.24328638013839D-15
3 3 3 4 -0.21804769903511D+01 -0.35632545489968D-11
1 4 3 4 0.82721619310857D+00 -0.19074186599612D-10
2 4 3 4 0.51771161164640D+00 -0.30757839023197D-10
3 4 3 4 0.90814948837938D+01 -0.96998716324365D-17
1 5 3 4 0.31848384909345D+01 -0.13192032969255D+01
2 5 3 4 0.27537625129289D+00 -0.11406457804063D+00
3 5 3 4 -0.15033000252671D+01 0.62268725877688D+00
1 1 1 5 -0.18438935030435D+01 0.18438935030409D+01
2 1 1 5 -0.63580844340507D+00 0.63580844340546D+00
3 1 1 5 -0.63580844340510D+00 0.63580844340548D+00
1 2 1 5 -0.37168267311944D+01 -0.37168267311927D+01
2 2 1 5 -0.24467799855271D+01 -0.24467799855334D+01
3 2 1 5 -0.24467799855271D+01 -0.24467799855334D+01
1 3 1 5 -0.67156424480273D+00 -0.27817101820109D+00
2 3 1 5 0.31848384909657D+01 0.13192032969277D+01
3 3 1 5 0.62199941812676D+00 0.25764059477697D+00
1 4 1 5 -0.67156424480272D+00 -0.27817101820109D+00
2 4 1 5 0.62199941812677D+00 0.25764059477698D+00
3 4 1 5 0.31848384909657D+01 0.13192032969277D+01
1 5 1 5 0.14466935531065D+02 -0.93663720311281D-17
2 5 1 5 0.72878944456196D+00 -0.67324127813696D-10
3 5 1 5 0.72878944456196D+00 -0.67324127817220D-10
1 1 2 5 -0.22882836145354D+00 0.22882836145892D+00
2 1 2 5 0.54633851441776D-01 -0.54633851435395D-01
3 1 2 5 -0.18675439903486D+00 0.18675439903821D+00
1 2 2 5 -0.55490900866458D+00 -0.55490900866335D+00
2 2 2 5 -0.45529891234796D+00 -0.45529891234624D+00
3 2 2 5 -0.26891673403370D+00 -0.26891673402117D+00
1 3 2 5 0.10585343842519D+01 0.43845929820376D+00
2 3 2 5 -0.15033000252515D+01 -0.62268725877396D+00
3 3 2 5 0.10511766295574D+00 0.43541161649771D-01
1 4 2 5 0.20931568600539D+00 0.86701395964977D-01
2 4 2 5 0.42645738863358D+00 0.17664443415124D+00
3 4 2 5 0.27537625129289D+00 0.11406457804063D+00
1 5 2 5 0.72878944456427D+00 0.65476088309713D-10
2 5 2 5 0.29310650363232D+01 -0.87976524096295D-17
3 5 2 5 0.15294513924449D+00 0.00000000000000D+00
1 1 3 5 -0.22882836145357D+00 0.22882836145894D+00
2 1 3 5 -0.18675439903486D+00 0.18675439903821D+00
3 1 3 5 0.54633851441776D-01 -0.54633851435388D-01
1 2 3 5 -0.55490900866459D+00 -0.55490900866335D+00
2 2 3 5 -0.26891673403370D+00 -0.26891673402117D+00
3 2 3 5 -0.45529891234794D+00 -0.45529891234623D+00
1 3 3 5 0.20931568600538D+00 0.86701395964976D-01
2 3 3 5 0.27537625129289D+00 0.11406457804063D+00
3 3 3 5 0.42645738863357D+00 0.17664443415124D+00
1 4 3 5 0.10585343842519D+01 0.43845929820376D+00
2 4 3 5 0.10511766295573D+00 0.43541161649774D-01
3 4 3 5 -0.15033000252515D+01 -0.62268725877396D+00
1 5 3 5 0.72878944456427D+00 0.65476088306189D-10
2 5 3 5 0.15294513924449D+00 0.00000000000000D+00
3 5 3 5 0.29310650363245D+01 -0.96998716324365D-17
2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 1.25000000E-01 1.25000000E-01 1.0
1 1 1 1 0.46648952507157D+01 0.18466881273814D-16
2 1 1 1 0.22406259253279D+00 -0.31681541969894D-12
3 1 1 1 0.22406259253280D+00 -0.31681542911289D-12
1 2 1 1 -0.27740924750911D+00 0.66972516764801D+00
2 2 1 1 -0.10057938620344D+01 0.24282011826961D+01
3 2 1 1 -0.10057938620344D+01 0.24282011826961D+01
1 3 1 1 0.12335749340466D-11 -0.29488328078288D+00
2 3 1 1 0.12024007493592D-11 -0.94564389792101D+00
3 3 1 1 0.36134562230797D-11 -0.63210210446446D+00
1 4 1 1 0.12339559198990D-11 -0.29488328078288D+00
2 4 1 1 0.36131089245515D-11 -0.63210210446447D+00
3 4 1 1 0.12024017963060D-11 -0.94564389792101D+00
1 5 1 1 -0.19824887985722D+01 -0.19824887985857D+01
2 5 1 1 -0.11267745117001D+00 -0.11267745117195D+00
3 5 1 1 -0.11267745117001D+00 -0.11267745117196D+00
1 1 2 1 0.22406259254866D+00 -0.43549499669065D-11
2 1 2 1 0.22094646724615D+01 0.27485958320637D-16
3 1 2 1 0.11432186454742D+00 0.00000000000000D+00
1 2 2 1 -0.77353121756582D+00 0.18674695563390D+01
2 2 2 1 0.13313908865218D+00 -0.32142619348702D+00
3 2 2 1 -0.18039341260900D+00 0.43550822326697D+00
1 3 2 1 0.11905854803472D-11 -0.26062580123117D+00
2 3 2 1 0.44566431303505D-12 -0.41708999496971D+00
3 3 2 1 0.16552499863522D-11 -0.65422776011525D-01
1 4 2 1 0.29487860631962D-12 -0.53898610018420D+00
2 4 2 1 0.61737973077704D-12 0.25963599715531D-01
3 4 2 1 0.22609782432418D-11 -0.17457625440454D+00
1 5 2 1 -0.30408454120667D+00 -0.30408454120252D+00
2 5 2 1 0.13279073757261D+00 0.13279073756993D+00
3 5 2 1 -0.10205794123913D+00 -0.10205794123862D+00
1 1 3 1 0.22406259254867D+00 -0.43549499763204D-11
2 1 3 1 0.11432186454742D+00 0.00000000000000D+00
3 1 3 1 0.22094646724620D+01 0.40359105313731D-16
1 2 3 1 -0.77353121756584D+00 0.18674695563390D+01
2 2 3 1 -0.18039341260900D+00 0.43550822326697D+00
3 2 3 1 0.13313908865217D+00 -0.32142619348701D+00
1 3 3 1 0.29522590484780D-12 -0.53898610018419D+00
2 3 3 1 0.22609772988238D-11 -0.17457625440454D+00
3 3 3 1 0.61772562522890D-12 0.25963599715531D-01
1 4 3 1 0.11905865272940D-11 -0.26062580123117D+00
2 4 3 1 0.16552509307702D-11 -0.65422776011523D-01
3 4 3 1 0.44578432772309D-12 -0.41708999496968D+00
1 5 3 1 -0.30408454120667D+00 -0.30408454120252D+00
2 5 3 1 -0.10205794123913D+00 -0.10205794123862D+00
3 5 3 1 0.13279073757264D+00 0.13279073756994D+00
1 1 1 2 -0.27740924753584D+00 -0.66972516765002D+00
2 1 1 2 -0.77353121755918D+00 -0.18674695563218D+01
3 1 1 2 -0.77353121755921D+00 -0.18674695563217D+01
1 2 1 2 0.17984577043896D+02 0.26592309034292D-16
2 2 1 2 0.16587048347739D+01 -0.47490695616241D-10
3 2 1 2 0.16587048347739D+01 -0.47490695629797D-10
1 3 1 2 -0.31797884696418D+01 0.13171115095795D+01
2 3 1 2 -0.13550148555255D+01 0.56126553036753D+00
3 3 1 2 -0.30252216730211D+00 0.12530878460934D+00
1 4 1 2 -0.31797884696418D+01 0.13171115095795D+01
2 4 1 2 -0.30252216730211D+00 0.12530878460935D+00
3 4 1 2 -0.13550148555255D+01 0.56126553036753D+00
1 5 1 2 -0.13102587445939D+01 0.31632444313136D+01
2 5 1 2 -0.12248461674194D+00 0.29570402290163D+00
3 5 1 2 -0.12248461674196D+00 0.29570402290160D+00
1 1 2 2 -0.10057938620511D+01 -0.24282011826843D+01
2 1 2 2 0.13313908863392D+00 0.32142619349971D+00
3 1 2 2 -0.18039341260900D+00 -0.43550822326697D+00
1 2 2 2 0.16587048347588D+01 0.18582772986892D-11
2 2 2 2 0.46209084584643D+01 0.39579779981717D-16
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1 1 2 3 0.63020657182242D-11 0.94564389791309D+00
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2 3 2 3 0.85839640575905D+01 0.98949449954292D-17
3 3 2 3 0.34775403901053D+00 -0.21253676292818D-10
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3 5 3 3 0.15778415795353D+00 -0.15778415795246D+00
1 1 1 4 0.26569358288682D-11 0.29488328078191D+00
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3 3 2 4 0.56206862322356D+00 -0.33667164371682D-17
1 4 2 4 0.16131008592126D+00 0.95811135915925D-11
2 4 2 4 0.26868610396041D+01 0.98949449954292D-17
3 4 2 4 0.34775403901201D+00 0.29149268407541D-10
1 5 2 4 0.33143730370157D+00 -0.33143730369314D+00
2 5 2 4 0.15778415795353D+00 -0.15778415795246D+00
3 5 2 4 0.26615854469558D-01 -0.26615854467734D-01
1 1 3 4 0.63020667651709D-11 0.94564389791309D+00
2 1 3 4 0.22609782432418D-11 0.17457625440454D+00
3 1 3 4 0.56841716338956D-11 0.41708999496674D+00
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2 2 3 4 -0.12089306439184D+01 -0.50075546866037D+00
3 2 3 4 -0.99027236190450D+00 -0.41018424273165D+00
1 3 3 4 0.30165962645064D+00 0.74022493027946D-11
2 3 3 4 0.14117585173960D+01 -0.33667164371682D-17
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2 4 3 4 0.34775403901053D+00 -0.21253676292818D-10
3 4 3 4 0.85839640575896D+01 0.14529277912943D-16
1 5 3 4 0.22467212296771D+01 -0.22467212296956D+01
2 5 3 4 0.67392366786684D-01 -0.67392366781415D-01
3 5 3 4 -0.66244792207006D+00 0.66244792207177D+00
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3 1 1 5 -0.30408454122886D+00 0.30408454121438D+00
1 2 1 5 -0.13102587445162D+01 -0.31632444313119D+01
2 2 1 5 -0.11188341401396D+01 -0.27011045551753D+01
3 2 1 5 -0.11188341401397D+01 -0.27011045551753D+01
1 3 1 5 -0.19398298732434D+00 -0.19398298738890D+00
2 3 1 5 0.22467212297387D+01 0.22467212297185D+01
3 3 1 5 0.33143730367905D+00 0.33143730367197D+00
1 4 1 5 -0.19398298732435D+00 -0.19398298738890D+00
2 4 1 5 0.33143730367906D+00 0.33143730367197D+00
3 4 1 5 0.22467212297387D+01 0.22467212297185D+01
1 5 1 5 0.16471651886862D+02 0.66480772585731D-17
2 5 1 5 0.34269287978461D+00 -0.80258539273468D-10
3 5 1 5 0.34269287978461D+00 -0.80258539276858D-10
1 1 2 5 -0.11267745117238D+00 0.11267745116811D+00
2 1 2 5 0.13279073756349D+00 -0.13279073756707D+00
3 1 2 5 -0.10205794123913D+00 0.10205794123862D+00
1 2 2 5 -0.12248461674071D+00 -0.29570402292517D+00
2 2 2 5 -0.99517308509862D-01 -0.24025603591257D+00
3 2 2 5 -0.47852625982093D-01 -0.11552645863872D+00
1 3 2 5 0.90878789957345D+00 0.90878789957019D+00
2 3 2 5 -0.66244792209269D+00 -0.66244792209024D+00
3 3 2 5 0.26615854472233D-01 0.26615854471864D-01
1 4 2 5 0.10207312890145D+00 0.10207312889974D+00
2 4 2 5 0.15778415795353D+00 0.15778415795246D+00
3 4 2 5 0.67392366786684D-01 0.67392366781415D-01
1 5 2 5 0.34269287978142D+00 0.67875739425065D-10
2 5 2 5 0.31280633727356D+01 0.98949449954292D-17
3 5 2 5 0.94658873762328D-01 0.00000000000000D+00
1 1 3 5 -0.11267745117238D+00 0.11267745116812D+00
2 1 3 5 -0.10205794123913D+00 0.10205794123862D+00
3 1 3 5 0.13279073756352D+00 -0.13279073756708D+00
1 2 3 5 -0.12248461674072D+00 -0.29570402292514D+00
2 2 3 5 -0.47852625982093D-01 -0.11552645863872D+00
3 2 3 5 -0.99517308509848D-01 -0.24025603591255D+00
1 3 3 5 0.10207312890145D+00 0.10207312889974D+00
2 3 3 5 0.67392366786684D-01 0.67392366781415D-01
3 3 3 5 0.15778415795353D+00 0.15778415795246D+00
1 4 3 5 0.90878789957345D+00 0.90878789957019D+00
2 4 3 5 0.26615854472233D-01 0.26615854471865D-01
3 4 3 5 -0.66244792209269D+00 -0.66244792209023D+00
1 5 3 5 0.34269287978143D+00 0.67875739421675D-10
2 5 3 5 0.94658873762328D-01 0.00000000000000D+00
3 5 3 5 0.31280633727370D+01 0.14529277912943D-16
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 1.25000000E-01 1.25000000E-01 1.0
1 1 1 1 0.49608822733744D+01 0.61474682691765D-17
2 1 1 1 0.18521209672475D-14 0.10901532601307D-19
3 1 1 1 0.14468409492464D-14 0.10818814565201D-19
1 2 1 1 0.24213782815943D-13 0.16992909118073D-13
2 2 1 1 -0.18766626965437D+01 0.18766626965457D+01
3 2 1 1 -0.18766626965437D+01 0.18766626965458D+01
1 3 1 1 0.64445744569172D-14 0.59006935799577D-14
2 3 1 1 0.33505435929817D+00 -0.80889277836474D+00
3 3 1 1 0.23826781161306D+00 -0.57522938227228D+00
1 4 1 1 0.64445744670197D-14 0.59006935714274D-14
2 4 1 1 0.23826781161306D+00 -0.57522938227229D+00
3 4 1 1 0.33505435929817D+00 -0.80889277836475D+00
1 5 1 1 -0.19935453109690D+01 -0.19935453109444D+01
2 5 1 1 0.16612163865264D-15 0.15277899429553D-15
3 5 1 1 0.53529247793128D-15 0.15198134732696D-15
1 1 2 1 0.18521209672475D-14 0.10901532601307D-19
2 1 2 1 0.21590519623605D+01 -0.97799806456539D-17
3 1 2 1 0.86741231123383D-01 0.00000000000000D+00
1 2 2 1 -0.13843773094878D+01 0.13843773094666D+01
2 2 2 1 0.14977281470623D-14 -0.20128426808873D-14
3 2 2 1 0.12007496210000D-14 0.35508773082941D-14
1 3 2 1 0.86583897525029D-01 -0.20903201971421D+00
2 3 2 1 0.61143375742658D-15 0.51082748032294D-14
3 3 2 1 0.28281656323912D-15 0.27807359042395D-16
1 4 2 1 0.19776788432564D+00 -0.47745390854959D+00
2 4 2 1 -0.61401272130649D-14 -0.41082260605061D-14
3 4 2 1 0.34177005664408D-15 -0.39096573085513D-15
1 5 2 1 0.16612163865264D-15 0.15277899429553D-15
2 5 2 1 0.15417911439133D+00 0.15417911439349D+00
3 5 2 1 -0.78770690544019D-01 -0.78770690545849D-01
1 1 3 1 0.14468409492464D-14 0.10818814565201D-19
2 1 3 1 0.86741231123383D-01 0.00000000000000D+00
3 1 3 1 0.21590519623608D+01 -0.96333777442043D-17
1 2 3 1 -0.13843773094878D+01 0.13843773094667D+01
2 2 3 1 0.12007496210000D-14 0.35508773082941D-14
3 2 3 1 0.27467290436332D-14 -0.38863447732721D-14
1 3 3 1 0.19776788432564D+00 -0.47745390854958D+00
2 3 3 1 0.28281656323924D-15 0.27807359042395D-16
3 3 3 1 -0.61403301124065D-14 -0.41084297377054D-14
1 4 3 1 0.86583897525025D-01 -0.20903201971422D+00
2 4 3 1 0.34177005664396D-15 -0.39096573085529D-15
3 4 3 1 0.12367473533953D-14 0.32355866085592D-14
1 5 3 1 0.53529247793128D-15 0.15198134732696D-15
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3 5 3 1 0.15417911439135D+00 0.15417911439349D+00
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1 2 1 2 0.19066075919873D+02 0.88523543076142D-17
2 2 1 2 0.67430080871150D-15 0.15698206945883D-19
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3 3 1 2 0.10887864765820D-14 0.37601591302437D-14
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2nd derivatives (non-stat.) - # elements : 225
qpt 2.50000000E-01 2.50000000E-01 1.25000000E-01 1.0
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2 5 3 5 0.18210326808904D+00 0.18927797662101D-10
3 5 3 5 0.29182522740316D+01 0.10598912322016D-17
2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 2.50000000E-01 1.25000000E-01 1.0
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3 5 2 5 0.12809081623661D+00 -0.48399445112208D-12
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1 3 3 5 0.78785644957500D-01 0.32634082673294D-01
2 3 3 5 0.10475614364337D+00 0.43391415440649D-01
3 3 3 5 0.14746416357368D+00 0.61081656519101D-01
1 4 3 5 0.85399406474067D+00 0.85399406475837D+00
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2 5 3 5 0.12809081624328D+00 0.52086921938421D-11
3 5 3 5 0.31388342344599D+01 0.14586113796248D-16
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 2.50000000E-01 1.25000000E-01 1.0
1 1 1 1 0.43823983635414D+01 0.58461916557364D-18
2 1 1 1 0.28075096273078D-14 0.13757576072149D-19
3 1 1 1 0.20602198259988D-14 0.10862443937578D-19
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2 2 2 5 0.94351933366075D-14 0.49509887285482D-14
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1 3 2 5 0.17111628926012D+01 0.17111628926026D+01
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3 3 2 5 -0.12047506465732D-14 0.18404208898125D-14
1 4 2 5 0.63044301734234D-01 0.15220240828193D+00
2 4 2 5 0.27561053857575D-14 0.67709099372083D-16
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2 5 2 5 0.32558109983834D+01 0.14178264789099D-16
3 5 2 5 0.11486043097845D+00 -0.38738866845099D-12
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2 1 3 5 -0.70480789619735D-01 0.17015567817339D+00
3 1 3 5 0.66837258671125D-01 -0.16135941636211D+00
1 2 3 5 0.22062652316817D-10 -0.25814287728619D-01
2 2 3 5 -0.58143501252877D-15 0.11875976240444D-14
3 2 3 5 0.54370982992085D-14 0.61318602302111D-14
1 3 3 5 0.50877155660775D-01 0.50877155653371D-01
2 3 3 5 -0.12047506465732D-14 0.18404208898134D-14
3 3 3 5 0.38807186010640D-14 -0.24927852352108D-15
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2 5 3 5 0.11486043098544D+00 -0.75877390538272D-12
3 5 3 5 0.32305033519870D+01 0.57009435715821D-18
2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 3.75000000E-01 1.25000000E-01 1.0
1 1 1 1 0.36285804314116D+01 -0.11757398433412D-16
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3 3 1 1 -0.90903403183028D-12 -0.26538050321190D+00
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3 1 2 1 0.98021271216455D-01 0.98301943156746D-11
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3 4 2 4 0.26060148183442D+00 -0.17031015277801D-10
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2 3 1 5 0.56690524730378D+01 0.30494503488215D-16
3 3 1 5 0.93159828741697D-01 0.68756201730164D-11
1 4 1 5 -0.49342091321756D+00 -0.49342091321078D+00
2 4 1 5 0.23552656459333D+00 0.23552656459757D+00
3 4 1 5 0.16327364998732D+01 0.16327364999142D+01
1 5 1 5 0.14028964881621D+02 -0.42326634360284D-17
2 5 1 5 0.29150714747881D+00 -0.20048171274944D-10
3 5 1 5 0.21259866836801D+00 -0.27286693914339D-10
1 1 2 5 -0.29527255575999D-11 0.22259030468319D+00
2 1 2 5 -0.61631389664222D-11 -0.19275060689733D-01
3 1 2 5 0.27388212195031D-11 0.28956221891961D+00
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1 3 2 5 0.29156124167937D+01 0.30494503488215D-16
2 3 2 5 -0.28149008276685D+00 -0.14563643281865D-10
3 3 2 5 0.34641012785376D-01 -0.21394348813097D-11
1 4 2 5 0.91525660811353D-01 0.91525660810934D-01
2 4 2 5 0.28799911023010D+00 0.28799911023269D+00
3 4 2 5 0.46163001593668D-01 0.46163001593514D-01
1 5 2 5 0.29150714746990D+00 -0.15536684717150D-10
2 5 2 5 0.33300483031599D+01 -0.54094672286363D-17
3 5 2 5 0.87207707984595D-01 -0.85131879806545D-11
1 1 3 5 -0.15106542844265D-12 0.42858970908097D-01
2 1 3 5 -0.14925550847470D-11 0.26538050323356D+00
3 1 3 5 0.16725857140768D-11 -0.89412323973800D-01
1 2 3 5 -0.56087474222842D-02 -0.13540714080910D-01
2 2 3 5 -0.27207530458424D-01 -0.65684789006664D-01
3 2 3 5 -0.64776985307110D-01 -0.15638547646877D+00
1 3 3 5 0.34641012785375D-01 0.21394350421656D-11
2 3 3 5 0.93159828741699D-01 -0.68756200121605D-11
3 3 3 5 0.82110203705798D-01 0.13211634996160D-16
1 4 3 5 0.80484101621048D+00 0.80484101621242D+00
2 4 3 5 0.18730147290568D-01 0.18730147297709D-01
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2 5 3 5 0.87207707954322D-01 0.10931430326239D-10
3 5 3 5 0.31534893510175D+01 -0.15241701255329D-16
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 3.75000000E-01 1.25000000E-01 1.0
1 1 1 1 0.39050922610963D+01 0.30739444126227D-18
2 1 1 1 0.19344309568632D-14 0.10883617003606D-19
3 1 1 1 -0.64846452346704D-15 0.10883049063296D-19
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1 3 1 1 0.31140229089853D-14 0.67337674243587D-14
2 3 1 1 0.23533214065074D+00 -0.56814204558195D+00
3 3 1 1 0.10383686896839D+00 -0.25068437733240D+00
1 4 1 1 -0.10492276611765D-14 -0.15929052688888D-14
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1 5 1 1 0.19481551536959D-10 -0.97341784417834D+00
2 5 1 1 0.10518588610777D-17 0.56829947631899D-15
3 5 1 1 0.23870425871914D-18 0.89520193423933D-15
1 1 2 1 0.19344309568632D-14 0.10883617003606D-19
2 1 2 1 0.34644610040179D+01 -0.40948039062234D-16
3 1 2 1 0.81151267719833D-01 0.36433105551901D-11
1 2 2 1 -0.45939373129793D+01 -0.35289771900643D-10
2 2 2 1 0.21481742788839D-13 -0.55567486180004D-15
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1 3 2 1 0.82301033358835D-01 -0.19869227095548D+00
2 3 2 1 0.29013813090517D-14 0.69834024608300D-14
3 3 2 1 0.17702068147990D-15 -0.24459843674719D-15
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2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 5.00000000E-01 1.25000000E-01 1.0
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2nd derivatives (non-stat.) - # elements : 225
qpt 2.50000000E-01 2.50000000E-01 2.50000000E-01 1.0
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3 4 2 5 0.37031789820789D+00 -0.13676886572913D-10
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2 5 2 5 0.31018572279081D+01 -0.12380497379079D-16
3 5 2 5 0.23574129139602D+00 0.26076538533806D-11
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3 2 3 5 -0.10515204151198D+01 -0.10515204151085D+01
1 3 3 5 0.14338094317897D+00 -0.19580609872391D-11
2 3 3 5 0.37031789820789D+00 -0.13676886967422D-10
3 3 3 5 0.46890848121472D+00 0.16327397510060D-11
1 4 3 5 0.17711100115762D+01 -0.64111340931976D-12
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3 4 3 5 -0.11133871230876D+01 -0.15117286266691D-10
1 5 3 5 0.62706438520057D+00 0.12740076301503D-10
2 5 3 5 0.23574129139602D+00 0.26076538533806D-11
3 5 3 5 0.31018572279095D+01 0.18649443884948D-18
2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 2.50000000E-01 2.50000000E-01 1.0
1 1 1 1 0.37131039434362D+01 -0.25551205905589D-16
2 1 1 1 0.19593168690631D+00 0.79815270774429D-11
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1 1 2 5 0.60845875384260D-11 0.14824846675705D+00
2 1 2 5 0.69786390607164D-11 -0.92890803583297D-01
3 1 2 5 0.31862556909208D-11 0.41199264774314D+00
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3 2 2 5 -0.66376966607693D-01 -0.16024817302011D+00
1 3 2 5 0.20200799532803D+01 0.83674451373068D+00
2 3 2 5 -0.62228577227781D+00 -0.25775920651469D+00
3 3 2 5 0.52840717972252D-01 0.21887342033844D-01
1 4 2 5 0.10927310148389D+00 0.45262400638084D-01
2 4 2 5 0.21607642592022D+00 0.89501786131404D-01
3 4 2 5 0.13216341800395D+00 0.54743880206577D-01
1 5 2 5 0.36151615463026D+00 0.85260220508164D-10
2 5 2 5 0.31553862735946D+01 -0.13007671871238D-16
3 5 2 5 0.17873180573030D+00 0.00000000000000D+00
1 1 3 5 0.60845869523743D-11 0.14824846675705D+00
2 1 3 5 0.31862556909208D-11 0.41199264774314D+00
3 1 3 5 0.69785824372098D-11 -0.92890803583283D-01
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2 2 3 5 -0.66376966607693D-01 -0.16024817302011D+00
3 2 3 5 -0.27394578532616D+00 -0.66136363026684D+00
1 3 3 5 0.10927310148389D+00 0.45262400638081D-01
2 3 3 5 0.13216341800395D+00 0.54743880206576D-01
3 3 3 5 0.21607642592021D+00 0.89501786131406D-01
1 4 3 5 0.20200799532803D+01 0.83674451373068D+00
2 4 3 5 0.52840717972257D-01 0.21887342033844D-01
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1 5 3 5 0.36151615463025D+00 0.85260220509480D-10
2 5 3 5 0.17873180573030D+00 0.00000000000000D+00
3 5 3 5 0.31553862735959D+01 0.20575585555059D-17
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 2.50000000E-01 2.50000000E-01 1.0
1 1 1 1 0.39909556262969D+01 -0.30333745474023D-17
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3 1 1 1 -0.24668683199059D-14 0.13798948066807D-19
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2 2 1 1 -0.31272887329685D+01 -0.42303860232666D-10
3 2 1 1 -0.31272887329686D+01 -0.42304214166945D-10
1 3 1 1 0.81097342570882D-14 0.23366202966290D-14
2 3 1 1 0.46203478423111D+00 -0.46203478421639D+00
3 3 1 1 0.52535493136543D+00 -0.52535493138085D+00
1 4 1 1 0.11440399901783D-13 0.23366202431521D-14
2 4 1 1 0.52535493136533D+00 -0.52535493138078D+00
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1 5 1 1 0.25112937181719D-11 -0.13986800510892D+01
2 5 1 1 0.23870676150905D-18 0.16239459139064D-14
3 5 1 1 0.23870702307930D-18 0.15170873100929D-14
1 1 2 1 -0.21028183687868D-14 0.13863750530646D-19
2 1 2 1 0.26796988009075D+01 0.38413328470563D-16
3 1 2 1 0.16488604108961D+00 0.00000000000000D+00
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2 2 2 1 0.19400074009153D-13 -0.15786321974235D-14
3 2 2 1 -0.48251632076552D-16 0.54548238621438D-14
1 3 2 1 0.15785629909308D+00 -0.15785629909196D+00
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3 3 2 1 0.29753391248092D-15 0.78005364408126D-15
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3 4 2 1 0.29972719841849D-15 0.83534795405606D-15
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3 4 3 1 0.49829275256234D-14 0.52031776989283D-14
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1 2 1 2 0.18433512719828D+02 -0.43680593482593D-17
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3 3 1 2 0.91070810842592D-15 -0.89835639908820D-15
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3 4 1 2 0.10195961618757D-14 0.12133569286151D-14
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2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 3.75000000E-01 2.50000000E-01 1.0
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3 5 3 5 0.30818619647575D+01 0.79346161312584D-17
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 3.75000000E-01 2.50000000E-01 1.0
1 1 1 1 0.36288421291888D+01 0.25004228086970D-17
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2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 5.00000000E-01 2.50000000E-01 1.0
1 1 1 1 0.34859960523390D+01 -0.16611419331384D-17
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3 5 2 5 0.17917318428333D-14 0.00000000000000D+00
1 1 3 5 0.23006950284156D-16 0.47401499104963D-16
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2 5 3 5 0.17917318428333D-14 0.00000000000000D+00
3 5 3 5 0.30935108827257D+01 -0.31331076347336D-17
2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 3.75000000E-01 3.75000000E-01 1.0
1 1 1 1 0.31362365335390D+01 0.39738364149355D-16
2 1 1 1 0.94105112413124D-01 0.00000000000000D+00
3 1 1 1 0.94105112413120D-01 0.00000000000000D+00
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1 1 2 3 0.13825579790355D+00 0.13825579791006D+00
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3 3 3 3 0.30127673697816D+01 0.60101609495150D-18
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3 5 3 3 0.15658307324752D+00 0.62576073602454D-12
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3 3 2 4 0.26891447586619D+01 0.90732607901155D-13
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3 4 2 4 0.21211031068894D+00 0.49260235092314D-10
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2 5 2 4 0.15658307324753D+00 0.62576959332565D-12
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1 1 3 4 0.13825579790355D+00 0.13825579791006D+00
2 1 3 4 0.13825579790354D+00 0.13825579791005D+00
3 1 3 4 0.23948081828248D+00 0.23948081827811D+00
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1 4 3 4 0.21211031075591D+00 -0.72548701013051D-10
2 4 3 4 0.21211031075590D+00 -0.72548701019078D-10
3 4 3 4 0.12508894528857D+02 0.60101609495150D-18
1 5 3 4 0.47442580190608D+01 0.17689602833696D-15
2 5 3 4 0.86512080346670D-01 -0.88196083456847D-11
3 5 3 4 -0.37851258142301D+00 -0.63643943125997D-11
1 1 1 5 0.23948081828249D+00 0.23948081827812D+00
2 1 1 5 0.13825579790354D+00 0.13825579791006D+00
3 1 1 5 0.13825579790354D+00 0.13825579791006D+00
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2 2 1 5 -0.69842351022239D+00 -0.16861435107228D+01
3 2 1 5 -0.69842351022239D+00 -0.16861435107228D+01
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2 3 1 5 0.47442580190608D+01 -0.56600648771682D-16
3 3 1 5 0.86512080346672D-01 -0.88196083461750D-11
1 4 1 5 -0.37851258142301D+00 -0.63643977146738D-11
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3 4 1 5 0.47442580190608D+01 -0.17689602833696D-15
1 5 1 5 0.12508894528859D+02 0.14305811093768D-16
2 5 1 5 0.21211031075591D+00 -0.72548701019060D-10
3 5 1 5 0.21211031075591D+00 -0.72548701013051D-10
1 1 2 5 0.55506387886964D-01 0.55506387882732D-01
2 1 2 5 -0.22753101232139D-01 -0.22753101235068D-01
3 1 2 5 0.45998399164420D+00 0.45998399163934D+00
1 2 2 5 -0.65240014959707D-02 -0.15750332880950D-01
2 2 2 5 -0.41657854711079D+00 -0.10057095782079D+01
3 2 2 5 -0.26707601383599D-01 -0.64477853484717D-01
1 3 2 5 0.26891447586618D+01 0.90730452992144D-13
2 3 2 5 -0.37851258142301D+00 0.63644246480823D-11
3 3 2 5 0.35748697979475D-01 0.34486592221518D-12
1 4 2 5 0.35748697979474D-01 -0.34486569752546D-12
2 4 2 5 0.15658307324753D+00 0.62572763369935D-12
3 4 2 5 0.86512080346670D-01 0.88196083456847D-11
1 5 2 5 0.21211031068895D+00 0.49260235092332D-10
2 5 2 5 0.30127673697821D+01 -0.15746046231929D-16
3 5 2 5 0.89407737903930D-01 0.24816564003303D-11
1 1 3 5 0.55506387886964D-01 0.55506387882732D-01
2 1 3 5 0.45998399164420D+00 0.45998399163934D+00
3 1 3 5 -0.22753101232147D-01 -0.22753101235075D-01
1 2 3 5 -0.65240014959627D-02 -0.15750332880943D-01
2 2 3 5 -0.26707601383599D-01 -0.64477853484717D-01
3 2 3 5 -0.41657854711080D+00 -0.10057095782079D+01
1 3 3 5 0.35748697979474D-01 -0.34486593649923D-12
2 3 3 5 0.86512080346672D-01 0.88196083318910D-11
3 3 3 5 0.15658307324752D+00 0.62573649100046D-12
1 4 3 5 0.26891447586619D+01 0.90610157612579D-13
2 4 3 5 0.35748697979472D-01 0.34486593600893D-12
3 4 3 5 -0.37851258142301D+00 0.63643943125997D-11
1 5 3 5 0.21211031068894D+00 0.49260235098341D-10
2 5 3 5 0.89407737903930D-01 0.24816564003303D-11
3 5 3 5 0.30127673697834D+01 0.60101609495150D-18
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 3.75000000E-01 3.75000000E-01 1.0
1 1 1 1 0.33542912781832D+01 -0.41662182111277D-17
2 1 1 1 0.23459194151188D-14 0.10894676539651D-19
3 1 1 1 0.20160253237029D-14 0.10811958453163D-19
1 2 1 1 0.54787692973171D-14 -0.35115223679478D-14
2 2 1 1 -0.14065020182446D+01 -0.14065020182727D+01
3 2 1 1 -0.14065020182446D+01 -0.14065020182727D+01
1 3 1 1 -0.60453170069125D-14 0.72225988569542D-16
2 3 1 1 0.17863180571960D+00 -0.73991716613935D-01
3 3 1 1 0.64042243763593D+00 -0.26527165932034D+00
1 4 1 1 -0.60453170139153D-14 0.72022690580984D-16
2 4 1 1 0.64042243763601D+00 -0.26527165932034D+00
3 4 1 1 0.17863180571961D+00 -0.73991716613935D-01
1 5 1 1 0.26287915433394D+00 -0.26287915435107D+00
2 5 1 1 0.49382174535132D-15 -0.37170380780755D-15
3 5 1 1 -0.12056651599548D-14 0.12887673236270D-14
1 1 2 1 0.23459194151188D-14 0.10894676539651D-19
2 1 2 1 0.30368931555906D+01 -0.17057803992830D-17
3 1 2 1 0.80930817666230D-01 0.00000000000000D+00
1 2 2 1 -0.13572478391562D+01 -0.13572478391494D+01
2 2 2 1 0.91999005826513D-14 -0.56557619804389D-14
3 2 2 1 -0.12121926508601D-13 -0.31104608394577D-14
1 3 2 1 0.73320866267011D-01 -0.30370497212930D-01
2 3 2 1 -0.45926241347928D-14 0.32125116085633D-15
3 3 2 1 0.89462699676746D-15 0.15919045182125D-14
1 4 2 1 0.65214680195449D+00 -0.27012805002944D+00
2 4 2 1 -0.61400886933086D-14 -0.24428915232858D-14
3 4 2 1 0.78973043619812D-15 0.12820937466500D-14
1 5 2 1 0.49382174535132D-15 -0.37170380780755D-15
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3 5 2 1 0.39538813762720D+00 -0.39538813763313D+00
1 1 3 1 0.20160253237029D-14 0.10811958453163D-19
2 1 3 1 0.80930817666230D-01 0.00000000000000D+00
3 1 3 1 0.30368931555911D+01 0.39853517510297D-16
1 2 3 1 -0.13572478391562D+01 -0.13572478391494D+01
2 2 3 1 -0.12121926508601D-13 -0.31104608394576D-14
3 2 3 1 0.91999005391535D-14 -0.23250936448933D-14
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3 3 3 1 -0.69729596385391D-14 -0.24428919125780D-14
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1 5 3 1 -0.12056651599548D-14 0.12887673236270D-14
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3 5 3 1 -0.32267348753544D-01 0.32267348753332D-01
1 1 1 2 0.54787692973155D-14 0.35115223679494D-14
2 1 1 2 -0.13572478391113D+01 0.13572478390979D+01
3 1 1 2 -0.13572478391113D+01 0.13572478390979D+01
1 2 1 2 0.18147392181567D+02 -0.59993542240239D-17
2 2 1 2 0.13853705736462D-14 0.15688334217097D-19
3 2 1 2 0.60331445825602D-15 0.15569220172554D-19
1 3 1 2 -0.48776614752824D+00 0.11775716486468D+01
2 3 1 2 0.82723521698600D-16 -0.30367332326403D-15
3 3 1 2 -0.54053569329508D-16 -0.78084525213175D-15
1 4 1 2 -0.48776614752824D+00 0.11775716486468D+01
2 4 1 2 0.61265720516729D-15 -0.74032743109619D-15
3 4 1 2 -0.88524768606824D-15 -0.43248035670407D-15
1 5 1 2 0.65172973409975D-14 0.16046784888107D-13
2 5 1 2 0.15289972202747D-11 -0.93737333088437D-01
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1 1 2 2 -0.14065020182678D+01 0.14065020182851D+01
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2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 5.00000000E-01 3.75000000E-01 1.0
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2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 5.00000000E-01 5.00000000E-01 1.0
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2 1 2 5 0.90645670704766D-14 0.00000000000000D+00
3 1 2 5 0.66264484550020D+00 -0.44550713914302D-12
1 2 2 5 -0.44756926757473D-17 0.25942919542710D-14
2 2 2 5 0.54310778064598D-14 0.40374419301058D-14
3 2 2 5 -0.30673255409757D-19 0.82853790516703D-15
1 3 2 5 0.30907092901968D+01 -0.77230247430407D-13
2 3 2 5 0.46833464027297D-14 0.00000000000000D+00
3 3 2 5 0.48725834867064D-15 0.00000000000000D+00
1 4 2 5 0.37426271501770D-15 0.00000000000000D+00
2 4 2 5 0.57528302516240D-14 0.00000000000000D+00
3 4 2 5 0.47945209302855D-15 0.00000000000000D+00
1 5 2 5 0.63329592165621D-15 0.00000000000000D+00
2 5 2 5 0.28610730756782D+01 0.00000000000000D+00
3 5 2 5 -0.26862085839016D-15 0.00000000000000D+00
1 1 3 5 0.79224839149881D-15 0.00000000000000D+00
2 1 3 5 0.66264484550025D+00 -0.44550713914302D-12
3 1 3 5 0.95795601722550D-14 0.00000000000000D+00
1 2 3 5 0.76892537892268D-17 -0.36165298582093D-14
2 2 3 5 -0.30673255409757D-19 0.82853790516703D-15
3 2 3 5 0.54311997792084D-14 0.40533642526794D-14
1 3 3 5 -0.81809624869419D-16 0.00000000000000D+00
2 3 3 5 0.48725834867057D-15 0.00000000000000D+00
3 3 3 5 0.50034297221000D-14 0.00000000000000D+00
1 4 3 5 0.30907092901967D+01 -0.77230247430407D-13
2 4 3 5 0.47945209302855D-15 0.00000000000000D+00
3 4 3 5 0.46833461970720D-14 0.00000000000000D+00
1 5 3 5 0.10166307055740D-14 0.00000000000000D+00
2 5 3 5 -0.26862085839016D-15 0.00000000000000D+00
3 5 3 5 0.28610730756805D+01 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 1.25000000E-01 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 3.75000000E-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 1.25000000E-01 1.25000000E-01 0.00000000E+00 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 2.50000000E-01 1.25000000E-01 0.00000000E+00 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 1.25000000E-01 0.00000000E+00 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 1.25000000E-01 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 3.75000000E-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 3.75000000E-01 3.75000000E-01 0.00000000E+00 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 3.75000000E-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 1.25000000E-01 1.25000000E-01 1.25000000E-01 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 2.50000000E-01 1.25000000E-01 1.25000000E-01 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 1.25000000E-01 1.25000000E-01 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 1.25000000E-01 1.25000000E-01 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 2.50000000E-01 2.50000000E-01 1.25000000E-01 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 2.50000000E-01 1.25000000E-01 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 2.50000000E-01 1.25000000E-01 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 3.75000000E-01 3.75000000E-01 1.25000000E-01 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 3.75000000E-01 1.25000000E-01 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 5.00000000E-01 1.25000000E-01 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 3.75000000E-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 3.75000000E-01 3.75000000E-01 2.50000000E-01 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 3.75000000E-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 3.75000000E-01 3.75000000E-01 3.75000000E-01 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 3.75000000E-01 3.75000000E-01 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 5.00000000E-01 3.75000000E-01 1.0
2nd derivatives (non-stat.) - # elements : 225
qpt 5.00000000E-01 5.00000000E-01 5.00000000E-01 1.0
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