
 OPTIM version 22983, Copyright (C) David J. Wales
 OPTIM comes with ABSOLUTELY NO WARRANTY; for details supply WARRANTY as an input keyword.
 This is free software, and you are welcome to redistribute it
 under certain conditions; provide keyword COPYRIGHT to see the details.

 getparams> Number of atoms (or variables)  determined as     79
 keyword> Local permutational alignment: alignment threshold=        1.00000
 keyword> Local permutational alignment: alignment cutoff=           5.00000
 keyword> Number of groups of permutable atoms=     8
CHARMMTYPE set to  2
1
                 Chemistry at HARvard Macromolecular Mechanics
                   (CHARMM) - Developmental Version 35b4   February 15, 2010   
       Copyright(c) 1984-2001  President and Fellows of Harvard College
                              All Rights Reserved
      Current operating system: Linux-2.6.16.54-0.2.5-smp(x86_64)@comp35.ch.
                 Created on  5/28/12 at 11:34: 8 by user: wales       

            Maximum number of ATOMS:     25140, and RESidues:       14000
            Current HEAP size:         2048000, and STACK size:    500000

 RDTITL> *
 RDTITL> No title read.

      ***** LEVEL  1 WARNING FROM <RDTITL> *****
      ***** Title expected.
      ******************************************
      BOMLEV (  0) IS NOT REACHED. WRNLEV IS  5

  
 CHARMM>    BOMLev -5
 MISCOM> Setting BOMLev < -2 is NOT a good idea.
 Parameter: TOP <- "toph19_eef1_bs360.inp"
 Parameter: PAR <- "param19_eef1_bs360.inp"
  
 CHARMM>    WRNLEV -1
  
 CHARMM>    PRNLEV 2
 Parameter: 0 <- "/HOME/BS360/C31A2-SAT39/TOPPAR"
 VOPEN> Attempting to open::/home/bs360/c31a2-sat39/toppar/toph19_eef1_bs360.inp::
 OPNLGU> Unit  1 opened for READONLY access to /home/bs360/c31a2-sat39/toppar/toph19_eef1_bs360.inp
 MAINIO> Residue topology file being read from unit   1.
 TITLE> * TOPOLOGY FILE FOR PROTEINS USING EXPLICIT HYDROGEN ATOMS: VERSION 19
 TITLE> * S TRYGUBENKO: ASN, GLN AND TYR DIHEDRALS AND CTER IMPROPER WERE
 TITLE> * SYMMETRIZED TO ENSURE THAT ROTAMERS OF THESE RESIDUES HAVE THE SAME
 TITLE> * ENERGIES AND GEOMETRIES. VISIT HTTP://WWW.TRYGUB.COM/CHARMM/ROTAMERS/
 TITLE> * FOR MORE INFORMATION. UNSUPPORTED. USE THIS FILE AT YOUR OWN RISK.
 TITLE> * MODIFICATIONS ARE MARKED WITH SAT AND DAE.
 TITLE> * ALSO, TOPOLOGY FOR D-PROLINE (DPR) RESIDUE WAS ADDED.
 TITLE> * * T. LAZARIDIS: HERE THE IONIC SIDECHAINS AND TERMINI ARE NEUTRALIZED
 TITLE> * ALSO, A NEW ATOM TYPE HAS BEEN ADDED, CR, FOR 4-BONDED CARBON IN
 TITLE> * AROMATICS AND ARGININE. MODIFICATIONS ARE MARKED BY TL
 TITLE> *
 VCLOSE: Closing unit    1 with status "KEEP"
 VOPEN> Attempting to open::/home/bs360/c31a2-sat39/toppar/param19_eef1_bs360.inp::
 OPNLGU> Unit  2 opened for READONLY access to /home/bs360/c31a2-sat39/toppar/param19_eef1_bs360.inp

          PARAMETER FILE BEING READ FROM UNIT  2
 TITLE> * - PARAMETER FILE PARAM19 * S TRYGUBENKO: ASN, GLN AND TYR DIHEDRALS AND CTER IMPROPER WERE
 TITLE> * SYMMETRIZED TO ENSURE THAT ROTAMERS OF THESE RESIDUES HAVE THE SAME
 TITLE> * ENERGIES AND GEOMETRIES. VISIT HTTP://WWW.TRYGUB.COM/CHARMM/ROTAMERS/
 TITLE> * FOR MORE INFORMATION. UNSUPPORTED. USE THIS FILE AT YOUR OWN RISK.
 TITLE> * MODIFICATIONS ARE MARKED WITH SAT AND DAE.
 TITLE> * * PEPTIDE GEOMETRY FROM RAMACHANDRAN ET AL BBA 359:298 (1974)
 TITLE> * TORSIONS FROM HAGLER ET AL JACS 98:4600 (1976)
 TITLE> * JORGENSEN NONBOND PARAMETERS JACS 103:3976-3985 WITH 1-4 RC=1.80/0.1
 TITLE> *
 VCLOSE: Closing unit    2 with status "KEEP"
 MAINIO> Sequence information being read from unit   5.
 RDTITL> *

          RESIDUE SEQUENCE --     7 RESIDUES
          GLY ASN ASN GLN GLN ASN TYR 
 THE PATCH 'NTER' WILL BE USED FOR THE FIRST RESIDUE
 THE PATCH 'CTER' WILL BE USED FOR THE LAST  RESIDUE
 GENPSF> Segment   1 has been generated. Its identifier is SEG1.
 PSFSUM> PSF modified: NONBOND lists and IMAGE atoms cleared.
 PSFSUM> Summary of the structure file counters :
         Number of segments      =        1   Number of residues   =        7
         Number of atoms         =       79   Number of groups     =       33
         Number of bonds         =       79   Number of angles     =      113
         Number of dihedrals     =       48   Number of impropers  =       37
         Number of cross-terms   =        0
         Number of HB acceptors  =       14   Number of HB donors  =       20
         Number of NB exclusions =        3   Total charge =    0.00000
 VOPEN> Attempting to open::input.crd::
 OPNLGU> Unit 20 opened for READONLY access to input.crd
          SPATIAL COORDINATES BEING READ FROM UNIT 20
 TITLE> 79
 VCLOSE: Closing unit   20 with status "KEEP"

 NONBOND OPTION FLAGS: 
     ELEC     VDW      GROUps   RDIElec  SWITch   VGROup   VSWItch 
     BYGRoup  NOEXtnd  NOEWald 
 CUTNB  = 15.000 CTEXNB =999.000 CTONNB =  7.000 CTOFNB =  9.000
 WMIN   =  1.500 WRNMXD =  0.500 E14FAC =  0.400 EPS    =  1.000
 NBXMOD =      5
 There are        0 atom  pairs and        0 atom  exclusions.
 There are        0 group pairs and        0 group exclusions.
 <MAKINB> with mode   5 found    195 exclusions and    129 interactions(1-4)
 VOPEN> Attempting to open::/home/bs360/c31a2-sat39/toppar/solvpar.inp::
 OPNLGU> Unit 30 opened for READONLY access to /home/bs360/c31a2-sat39/toppar/solvpar.inp
 NBOND           79
 NTHETA          113
 NPHI           48

chsetdihe> number of internal coordinates for segment    1
 chsetdihe> NPHIPSI           14
 chsetdihe> NOMEGAC            6
 chsetdihe> NSIDECHAIN           15
 chsetdihe> NCHIRAL            6

chsetdihe> total number of internal coordinates
 chsetdihe> NPHIPSITOT=            14
 chsetdihe> NOMEGACTOT=             6
 chsetdihe> NSIDECHAINTOT=            15
 chsetdihe> NCHIRALTOT=             6

 chsetdihe>            29  twistable dihedrals identified
chsetdihe> SEG-NR, NSEGATOMS :    1      79

 fetchz> Hybrid EF/BFGS transition state search, maximum steps= 250
         maximum tangent space steps=   5 or  100 when overlap is better than     0.999900
 fetchz> Uphill mode is    0 for initial step and    0 after that
 fetchz> Steps for largest Hessian e/vector= 100, smallest e/vector=2000 convergence at       0.0020%

 fetchz>  237 Cartesian coordinates will be optimised for   79 CHARMM atoms

 fetchz> Lowest   1 eigenvalues and eigenvectors will be calculated non-iteratively
 fetchz> Point group checked when RMS force <     0.00100000, highest symmetry axis tested for=  6
 fetchz> Initial distance and eigenvalue tolerances in symmetry determination=     0.00010000     0.00010000
 fetchz> Minimum number of optimization steps=     0
 keywords> Cutoff for identifying atoms in the same orbit=    0.2000000000    
 keywords> lpermdist neighbours, threshold, max sep=    10     1.000000000         3
 fetchz> Convergence criterion for LBFGS optimization: RMS force< 0.10000000E-05 maximum steps= 10000
 fetchz> Maximum energy rise in LBFGS minimization=    0.1000000000E-01
 fetchz> Number of updates in LBFGS=    10000
 fetchz> Number of updates in XLBFGS=   4
 fetchz> Number of updates in mind=   4
 fetchz> Initial guess for diagonal elements in LBFGS=     0.0100
 fetchz> Initial guess for diagonal elements in XLBFGS=    0.1000
 fetchz> Maximum step size in LBFGS energy minimization=     0.1000
 fetchz> Maximum step size in XLBFGS=    0.2000
 fetchz> Maximum step size in LBFGS neb image minimization=                 0.2000
 fetchz> Warnings will be issued if atoms become closer than 0.5 units
 fetchz> Coordinates for intermediate steps will not be dumped to file points


 OPTIM> Using translational/rotational ev shift=     1000000.000    
 OPTIM> Initial energy=    -297.0253819     RMS force=    0.8790303717E-06
 OPTIM> Final energy  =    -292.9126854     RMS force=    0.9178219871E-06
 KeyConnect> Maximum cycles = 50, maximum images = 23
 KeyConnect> Maximum attempts per pair of minima = 3, with increment image density of 2.00
 KeyConnect> Image density = 0.30, iteration density = 35.00
 KeyNEB> Initial and final NEB force constants     10.00000000        10.00000000     factor=    1.010000000    
 KeyNEB> Number of images will vary depending on the separation of the endpoints
 KeyGrad> Overall rotation and translation will NOT be removed
 KeyGrad> Using doubly nudged elastic band gradient
 KeyOutput> Transition state candidates will be optimized
 KeyOutput> Concise printing during transition states optimization
 KeyOutput> Transition state candidates are maxima along NEB
 KeyMin> Maximal number of iterations will vary, depending on the number of images in the band
 KeyMin> RMS convergence criterion is set to 0.001
 KeyMin> L-BFGS minimization
 KeyLBFGS> Maximum step size per image =     0.2000000000    
 KeyLBFGS> 4 Hessian updates per iteration
 KeyLBFGS> Guess for inverse Hessian diagonal elements =     0.1000000000E-02
 KeyTau> Using Henkelman and Jonsson's improved tangent
 KeyDecide> Cost function in Dijkstra algorithm is D^3

 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 1 >>>>>>>>>>>>>>>>>>>>> 2 minima and 0 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      1 steps with      1 missing connections, weight=     1028.0    
 decide> The unconnected minima in the chain and their distances are:
     2       10.09     1 
 

 tryconnect> 105-iteration DNEB run for minima 1_S and 2_F using 3 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      3.589423646    
 Double-ended search iterations= 105 RMS= 3.9265 Dev= 1.98% S= 11.88 time= 0.18
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         41
 DNEB run yielded 1 true transition state(s) time=   0.83

 >>>>>  Path run for ts 1 ...
 Plus  side of path:                     624 steps. Energy=    -299.2840590       time=       0.55
 Minus side of path:                     520 steps. Energy=    -297.0253819       time=       0.41

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -299.2840590  5.5179         -293.7661610  3.2592         -297.0253819  14.646  12.518   4.855  16.274
        *NEW* (Placed in 3)                                     *NEW* (Placed in 4)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 2 >>>>>>>>>>>>>>>>>>>>> 4 minima and 1 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      3 steps with      2 missing connections, weight=     572.66    
 decide> The unconnected minima in the chain and their distances are:
     2        7.73     3     4        4.80     1 
 

 tryconnect> 70-iteration DNEB run for minima 2_F and 3_U using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 0.3584 Dev= 0.46% S= 8.13 time= 0.08
 Following    1 images are candidates for TS:    1  
 Converged to TS (number of iterations):         36
 DNEB run yielded 1 true transition state(s) time=   0.82

 >>>>>  Path run for ts 2 ...
 Plus  side of path:                     456 steps. Energy=    -292.9126854       time=       0.35
 Minus side of path:                     509 steps. Energy=    -296.9055963       time=       0.41

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -292.9126854 0.71432E-01     -292.8412530  4.0643         -296.9055963   6.326   6.257   7.560  10.450
        Known (#2)                                              *NEW* (Placed in 5)
 Unconnected minimum 5 found its way to F set.

 checkpair> Energies of the minima in the pair     1    4 are the same - checking distance ...

 tryconnect> 70-iteration DNEB run for minima 1_S and 4_U using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      11.02500000    
 Double-ended search iterations= 70 RMS= 2.4807 Dev= 9.09% S= 7.21 time= 0.08
 Following    1 images are candidates for TS:    1  
 Converged to TS (number of iterations):        100
 DNEB run yielded 1 true transition state(s) time=   2.34

 >>>>>  Path run for ts 3 ...
 Plus  side of path:                     561 steps. Energy=    -297.0253819       time=       0.48
 Minus side of path:                     509 steps. Energy=    -295.0335421       time=       0.41

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -297.0253819  3.0154         -294.0100169  1.0235         -295.0335421  12.766  10.653   8.038   9.828
        Known (#1)                                              *NEW* (Placed in 6)
 Unconnected minimum 6 found its way to S set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 3 >>>>>>>>>>>>>>>>>>>>> 6 minima and 3 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      4 steps with      2 missing connections, weight=     323.87    
 decide> The unconnected minima in the chain and their distances are:
     5        4.69     3     4        4.80     1 
 

 tryconnect> 70-iteration DNEB run for minima 3_U and 5_F using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 0.3360 Dev= 0.43% S= 5.23 time= 0.08
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         26
 DNEB run yielded 1 true transition state(s) time=   0.64

 >>>>>  Path run for ts 4 ...
 Plus  side of path:                     471 steps. Energy=    -297.1338578       time=       0.39
 Minus side of path:                     467 steps. Energy=    -296.8875417       time=       0.37

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -297.1338578 0.25555         -296.8783051 0.92365E-02     -296.8875417   2.438   2.354   3.416  23.125
        *NEW* (Placed in 7)                                     *NEW* (Placed in 8)
 Connection established between members of the U set.

 checkpair> Energies of the minima in the pair     1    4 are the same - checking distance ...

 tryconnect> 385-iteration DNEB run for minima 1_S and 4_U using 11 images  (DNEB attempt #2)  ...
 tryconnect> Changing to an even number of images for possible permutational isomer
 lbfgs> Final DNEB force constant      9.523809524    
 lbfgs> Final DNEB force constant     0.2056183936E-02
 lbfgs> Final DNEB force constant     0.2056183936E-02
 lbfgs> Final DNEB force constant     0.2056183936E-02
 lbfgs> Final DNEB force constant     0.1958270415E-02
 lbfgs> Final DNEB force constant     0.1958270415E-02
 lbfgs> Final DNEB force constant     0.1958270415E-02
 lbfgs> Final DNEB force constant     0.1958270415E-02
 lbfgs> Final DNEB force constant     0.1958270415E-02
 lbfgs> Final DNEB force constant     0.1865019443E-02
 lbfgs> Final DNEB force constant     0.1865019443E-02
 lbfgs> Final DNEB force constant     0.1865019443E-02
 lbfgs> Final DNEB force constant     0.1865019443E-02
 lbfgs> Final DNEB force constant     0.1776208993E-02
 lbfgs> Final DNEB force constant     0.1776208993E-02
 lbfgs> Final DNEB force constant     0.1691627613E-02
 lbfgs> Final DNEB force constant     0.1611073917E-02
 lbfgs> Final DNEB force constant     0.1611073917E-02
 lbfgs> Final DNEB force constant     0.1534356111E-02
 lbfgs> Final DNEB force constant     0.1534356111E-02
 lbfgs> Final DNEB force constant     0.1534356111E-02
 lbfgs> Final DNEB force constant     0.1461291534E-02
 lbfgs> Final DNEB force constant     0.1461291534E-02
 lbfgs> Final DNEB force constant     0.1461291534E-02
 lbfgs> Final DNEB force constant     0.1391706223E-02
 lbfgs> Final DNEB force constant     0.1391706223E-02
 lbfgs> Final DNEB force constant     0.1391706223E-02
 lbfgs> Final DNEB force constant     0.1325434498E-02
 lbfgs> Final DNEB force constant     0.1325434498E-02
 lbfgs> Final DNEB force constant     0.1325434498E-02
 lbfgs> Final DNEB force constant     0.1262318570E-02
 lbfgs> Final DNEB force constant     0.1262318570E-02
 lbfgs> Final DNEB force constant     0.1262318570E-02
 lbfgs> Final DNEB force constant     0.1202208162E-02
 lbfgs> Final DNEB force constant     0.1090438242E-02
 lbfgs> Final DNEB force constant     0.1038512611E-02
 lbfgs> Final DNEB force constant     0.1038512611E-02
 lbfgs> Final DNEB force constant     0.1038512611E-02
 lbfgs> Final DNEB force constant     0.9890596299E-03
 lbfgs> Final DNEB force constant     0.9890596299E-03
 lbfgs> Final DNEB force constant     0.8971062403E-03
 lbfgs> Final DNEB force constant     0.8543868955E-03
 lbfgs> Final DNEB force constant     0.8543868955E-03
 lbfgs> Final DNEB force constant     0.8137018052E-03
 lbfgs> Final DNEB force constant     0.7380515240E-03
 lbfgs> Final DNEB force constant     0.6694344889E-03
 lbfgs> Final DNEB force constant     0.6694344889E-03
 lbfgs> Final DNEB force constant     0.6694344889E-03
 lbfgs> Final DNEB force constant     0.6375566561E-03
 lbfgs> Final DNEB force constant     0.6071968153E-03
 lbfgs> Final DNEB force constant     0.6071968153E-03
 lbfgs> Final DNEB force constant     0.5507454107E-03
 lbfgs> Final DNEB force constant     0.5507454107E-03
 lbfgs> Final DNEB force constant     0.5507454107E-03
 lbfgs> Final DNEB force constant     0.5507454107E-03
 lbfgs> Final DNEB force constant     0.5245194388E-03
 lbfgs> Final DNEB force constant     0.5245194388E-03
 lbfgs> Final DNEB force constant     0.5245194388E-03
 lbfgs> Final DNEB force constant     0.4995423227E-03
 lbfgs> Final DNEB force constant     0.4995423227E-03
 lbfgs> Final DNEB force constant     0.4757545930E-03
 lbfgs> Final DNEB force constant     0.4757545930E-03
 lbfgs> Final DNEB force constant     0.4757545930E-03
 lbfgs> Final DNEB force constant     0.4530996124E-03
 lbfgs> Final DNEB force constant     0.4530996124E-03
 lbfgs> Final DNEB force constant     0.4315234404E-03
 lbfgs> Final DNEB force constant     0.4315234404E-03
 lbfgs> Final DNEB force constant     0.3914044811E-03
 lbfgs> Final DNEB force constant     0.3914044811E-03
 lbfgs> Final DNEB force constant     0.3220094352E-03
 lbfgs> Final DNEB force constant     0.2402883984E-03
 lbfgs> Final DNEB force constant     0.2288460937E-03
 lbfgs> Final DNEB force constant     0.2288460937E-03
 lbfgs> Final DNEB force constant     0.1976858600E-03
 lbfgs> Final DNEB force constant     0.1882722477E-03
 lbfgs> Final DNEB force constant     0.1882722477E-03
 lbfgs> Final DNEB force constant     0.1793069025E-03
 lbfgs> Final DNEB force constant     0.1793069025E-03
 lbfgs> Final DNEB force constant     0.1793069025E-03
 lbfgs> Final DNEB force constant     0.1707684786E-03
 lbfgs> Final DNEB force constant     0.1707684786E-03
 lbfgs> Final DNEB force constant     0.1707684786E-03
 lbfgs> Final DNEB force constant     0.1626366463E-03
 lbfgs> Final DNEB force constant     0.1626366463E-03
 lbfgs> Final DNEB force constant     0.1626366463E-03
 lbfgs> Final DNEB force constant     0.1626366463E-03
 lbfgs> Final DNEB force constant     0.1548920441E-03
 lbfgs> Final DNEB force constant     0.1548920441E-03
 lbfgs> Final DNEB force constant     0.1548920441E-03
 lbfgs> Final DNEB force constant     0.1548920441E-03
 lbfgs> Final DNEB force constant     0.1475162325E-03
 lbfgs> Final DNEB force constant     0.1475162325E-03
 lbfgs> Final DNEB force constant     0.1475162325E-03
 lbfgs> Final DNEB force constant     0.1404916500E-03
 lbfgs> Final DNEB force constant     0.1404916500E-03
 lbfgs> Final DNEB force constant     0.1404916500E-03
 lbfgs> Final DNEB force constant     0.1338015714E-03
 lbfgs> Final DNEB force constant     0.1338015714E-03
 lbfgs> Final DNEB force constant     0.1338015714E-03
 lbfgs> Final DNEB force constant     0.1338015714E-03
 lbfgs> Final DNEB force constant     0.1274300680E-03
 lbfgs> Final DNEB force constant     0.1274300680E-03
 lbfgs> Final DNEB force constant     0.1213619695E-03
 lbfgs> Final DNEB force constant     0.1155828281E-03
 lbfgs> Final DNEB force constant     0.9984479267E-04
 lbfgs> Final DNEB force constant     0.9984479267E-04
 lbfgs> Final DNEB force constant     0.9984479267E-04
 lbfgs> Final DNEB force constant     0.9056217022E-04
 lbfgs> Final DNEB force constant     0.8624968593E-04
 lbfgs> Final DNEB force constant     0.8624968593E-04
 lbfgs> Final DNEB force constant     0.8214255802E-04
 lbfgs> Final DNEB force constant     0.7823100764E-04
 lbfgs> Final DNEB force constant     0.7450572156E-04
 lbfgs> Final DNEB force constant     0.7095783006E-04
 lbfgs> Final DNEB force constant     0.6129604152E-04
 lbfgs> Final DNEB force constant     0.6129604152E-04
 lbfgs> Final DNEB force constant     0.5559731657E-04
 lbfgs> Final DNEB force constant     0.5559731657E-04
 lbfgs> Final DNEB force constant     0.5294982530E-04
 lbfgs> Final DNEB force constant     0.5294982530E-04
 lbfgs> Final DNEB force constant     0.5294982530E-04
 lbfgs> Final DNEB force constant     0.5042840505E-04
 lbfgs> Final DNEB force constant     0.5042840505E-04
 lbfgs> Final DNEB force constant     0.5042840505E-04
 lbfgs> Final DNEB force constant     0.5042840505E-04
 lbfgs> Final DNEB force constant     0.4802705243E-04
 lbfgs> Final DNEB force constant     0.4802705243E-04
 lbfgs> Final DNEB force constant     0.4802705243E-04
 lbfgs> Final DNEB force constant     0.4802705243E-04
 lbfgs> Final DNEB force constant     0.4802705243E-04
 lbfgs> Final DNEB force constant     0.4574004993E-04
 lbfgs> Final DNEB force constant     0.4574004993E-04
 lbfgs> Final DNEB force constant     0.4574004993E-04
 lbfgs> Final DNEB force constant     0.4574004993E-04
 lbfgs> Final DNEB force constant     0.4356195232E-04
 lbfgs> Final DNEB force constant     0.4356195232E-04
 lbfgs> Final DNEB force constant     0.4356195232E-04
 lbfgs> Final DNEB force constant     0.4356195232E-04
 lbfgs> Final DNEB force constant     0.4148757364E-04
 lbfgs> Final DNEB force constant     0.4148757364E-04
 lbfgs> Final DNEB force constant     0.4148757364E-04
 lbfgs> Final DNEB force constant     0.4148757364E-04
 lbfgs> Final DNEB force constant     0.3951197489E-04
 lbfgs> Final DNEB force constant     0.3951197489E-04
 lbfgs> Final DNEB force constant     0.3951197489E-04
 lbfgs> Final DNEB force constant     0.3951197489E-04
 lbfgs> Final DNEB force constant     0.3763045228E-04
 lbfgs> Final DNEB force constant     0.3763045228E-04
 lbfgs> Final DNEB force constant     0.3763045228E-04
 lbfgs> Final DNEB force constant     0.3763045228E-04
 lbfgs> Final DNEB force constant     0.3583852598E-04
 lbfgs> Final DNEB force constant     0.3583852598E-04
 lbfgs> Final DNEB force constant     0.3583852598E-04
 lbfgs> Final DNEB force constant     0.3583852598E-04
 lbfgs> Final DNEB force constant     0.3413192950E-04
 lbfgs> Final DNEB force constant     0.3413192950E-04
 lbfgs> Final DNEB force constant     0.3413192950E-04
 lbfgs> Final DNEB force constant     0.3413192950E-04
 lbfgs> Final DNEB force constant     0.3250659953E-04
 lbfgs> Final DNEB force constant     0.3250659953E-04
 lbfgs> Final DNEB force constant     0.3095866622E-04
 lbfgs> Final DNEB force constant     0.3095866622E-04
 lbfgs> Final DNEB force constant     0.3095866622E-04
 lbfgs> Final DNEB force constant     0.2948444401E-04
 lbfgs> Final DNEB force constant     0.2948444401E-04
 lbfgs> Final DNEB force constant     0.2948444401E-04
 lbfgs> Final DNEB force constant     0.2948444401E-04
 lbfgs> Final DNEB force constant     0.2948444401E-04
 lbfgs> Final DNEB force constant     0.2808042287E-04
 lbfgs> Final DNEB force constant     0.2808042287E-04
 lbfgs> Final DNEB force constant     0.2674325988E-04
 lbfgs> Final DNEB force constant     0.2674325988E-04
 lbfgs> Final DNEB force constant     0.2674325988E-04
 lbfgs> Final DNEB force constant     0.2546977131E-04
 lbfgs> Final DNEB force constant     0.2546977131E-04
 lbfgs> Final DNEB force constant     0.2546977131E-04
 lbfgs> Final DNEB force constant     0.2546977131E-04
 lbfgs> Final DNEB force constant     0.2425692506E-04
 lbfgs> Final DNEB force constant     0.2425692506E-04
 lbfgs> Final DNEB force constant     0.2200174609E-04
 lbfgs> Final DNEB force constant     0.2200174609E-04
 lbfgs> Final DNEB force constant     0.2200174609E-04
 lbfgs> Final DNEB force constant     0.2095404389E-04
 lbfgs> Final DNEB force constant     0.2095404389E-04
 lbfgs> Final DNEB force constant     0.2095404389E-04
 lbfgs> Final DNEB force constant     0.2095404389E-04
 lbfgs> Final DNEB force constant     0.1995623228E-04
 lbfgs> Final DNEB force constant     0.1995623228E-04
 lbfgs> Final DNEB force constant     0.1995623228E-04
 lbfgs> Final DNEB force constant     0.1995623228E-04
 lbfgs> Final DNEB force constant     0.1900593550E-04
 lbfgs> Final DNEB force constant     0.1900593550E-04
 lbfgs> Final DNEB force constant     0.1900593550E-04
 lbfgs> Final DNEB force constant     0.1900593550E-04
 lbfgs> Final DNEB force constant     0.1810089095E-04
 lbfgs> Final DNEB force constant     0.1810089095E-04
 lbfgs> Final DNEB force constant     0.1723894377E-04
 lbfgs> Final DNEB force constant     0.1723894377E-04
 lbfgs> Final DNEB force constant     0.1641804168E-04
 lbfgs> Final DNEB force constant     0.1641804168E-04
 lbfgs> Final DNEB force constant     0.1563623017E-04
 lbfgs> Final DNEB force constant     0.1563623017E-04
 lbfgs> Final DNEB force constant     0.1563623017E-04
 lbfgs> Final DNEB force constant     0.1489164778E-04
 lbfgs> Final DNEB force constant     0.1489164778E-04
 lbfgs> Final DNEB force constant     0.1489164778E-04
 lbfgs> Final DNEB force constant     0.1418252170E-04
 lbfgs> Final DNEB force constant     0.1418252170E-04
 lbfgs> Final DNEB force constant     0.1418252170E-04
 lbfgs> Final DNEB force constant     0.1418252170E-04
 lbfgs> Final DNEB force constant     0.1350716352E-04
 lbfgs> Final DNEB force constant     0.1350716352E-04
 lbfgs> Final DNEB force constant     0.1350716352E-04
 lbfgs> Final DNEB force constant     0.1350716352E-04
 lbfgs> Final DNEB force constant     0.1286396526E-04
 lbfgs> Final DNEB force constant     0.1286396526E-04
 lbfgs> Final DNEB force constant     0.1286396526E-04
 lbfgs> Final DNEB force constant     0.1225139549E-04
 lbfgs> Final DNEB force constant     0.1225139549E-04
 lbfgs> Final DNEB force constant     0.1225139549E-04
 lbfgs> Final DNEB force constant     0.1166799570E-04
 lbfgs> Final DNEB force constant     0.1166799570E-04
 lbfgs> Final DNEB force constant     0.1166799570E-04
 lbfgs> Final DNEB force constant     0.1166799570E-04
 lbfgs> Final DNEB force constant     0.1111237686E-04
 lbfgs> Final DNEB force constant     0.1111237686E-04
 lbfgs> Final DNEB force constant     0.1111237686E-04
 lbfgs> Final DNEB force constant     0.1111237686E-04
 lbfgs> Final DNEB force constant     0.1058321605E-04
 lbfgs> Final DNEB force constant     0.1058321605E-04
 lbfgs> Final DNEB force constant     0.1058321605E-04
 lbfgs> Final DNEB force constant     0.1007925339E-04
 lbfgs> Final DNEB force constant     0.1007925339E-04
 lbfgs> Final DNEB force constant     0.9599288939E-05
 lbfgs> Final DNEB force constant     0.9599288939E-05
 lbfgs> Final DNEB force constant     0.9142179942E-05
 lbfgs> Final DNEB force constant     0.9142179942E-05
 lbfgs> Final DNEB force constant     0.9142179942E-05
 lbfgs> Final DNEB force constant     0.9142179942E-05
 lbfgs> Final DNEB force constant     0.8706838040E-05
 lbfgs> Final DNEB force constant     0.8706838040E-05
 lbfgs> Final DNEB force constant     0.8706838040E-05
 lbfgs> Final DNEB force constant     0.8706838040E-05
 lbfgs> Final DNEB force constant     0.8706838040E-05
 lbfgs> Final DNEB force constant     0.8292226704E-05
 lbfgs> Final DNEB force constant     0.8292226704E-05
 lbfgs> Final DNEB force constant     0.8292226704E-05
 lbfgs> Final DNEB force constant     0.8292226704E-05
 lbfgs> Final DNEB force constant     0.7897358766E-05
 lbfgs> Final DNEB force constant     0.7897358766E-05
 lbfgs> Final DNEB force constant     0.7897358766E-05
 lbfgs> Final DNEB force constant     0.7897358766E-05
 lbfgs> Final DNEB force constant     0.7897358766E-05
 lbfgs> Final DNEB force constant     0.7521294063E-05
 lbfgs> Final DNEB force constant     0.7521294063E-05
 lbfgs> Final DNEB force constant     0.7521294063E-05
 lbfgs> Final DNEB force constant     0.7521294063E-05
 lbfgs> Final DNEB force constant     0.7521294063E-05
 lbfgs> Final DNEB force constant     0.7163137203E-05
 lbfgs> Final DNEB force constant     0.7163137203E-05
 lbfgs> Final DNEB force constant     0.7163137203E-05
 lbfgs> Final DNEB force constant     0.7163137203E-05
 lbfgs> Final DNEB force constant     0.6822035431E-05
 lbfgs> Final DNEB force constant     0.6822035431E-05
 lbfgs> Final DNEB force constant     0.6822035431E-05
 lbfgs> Final DNEB force constant     0.6822035431E-05
 lbfgs> Final DNEB force constant     0.6822035431E-05
 lbfgs> Final DNEB force constant     0.6497176601E-05
 lbfgs> Final DNEB force constant     0.6497176601E-05
 lbfgs> Final DNEB force constant     0.6497176601E-05
 lbfgs> Final DNEB force constant     0.6497176601E-05
 lbfgs> Final DNEB force constant     0.6497176601E-05
 lbfgs> Final DNEB force constant     0.6187787239E-05
 lbfgs> Final DNEB force constant     0.6187787239E-05
 lbfgs> Final DNEB force constant     0.6187787239E-05
 lbfgs> Final DNEB force constant     0.6187787239E-05
 lbfgs> Final DNEB force constant     0.6187787239E-05
 lbfgs> Final DNEB force constant     0.5893130704E-05
 lbfgs> Final DNEB force constant     0.5893130704E-05
 lbfgs> Final DNEB force constant     0.5893130704E-05
 lbfgs> Final DNEB force constant     0.5893130704E-05
 lbfgs> Final DNEB force constant     0.5612505432E-05
 lbfgs> Final DNEB force constant     0.5612505432E-05
 lbfgs> Final DNEB force constant     0.5612505432E-05
 lbfgs> Final DNEB force constant     0.5612505432E-05
 lbfgs> Final DNEB force constant     0.5345243269E-05
 lbfgs> Final DNEB force constant     0.5345243269E-05
 lbfgs> Final DNEB force constant     0.5345243269E-05
 lbfgs> Final DNEB force constant     0.5345243269E-05
 lbfgs> Final DNEB force constant     0.5090707875E-05
 lbfgs> Final DNEB force constant     0.5090707875E-05
 lbfgs> Final DNEB force constant     0.5090707875E-05
 lbfgs> Final DNEB force constant     0.5090707875E-05
 lbfgs> Final DNEB force constant     0.5090707875E-05
 lbfgs> Final DNEB force constant     0.4848293214E-05
 lbfgs> Final DNEB force constant     0.4848293214E-05
 lbfgs> Final DNEB force constant     0.4848293214E-05
 lbfgs> Final DNEB force constant     0.4617422109E-05
 lbfgs> Final DNEB force constant     0.4617422109E-05
 lbfgs> Final DNEB force constant     0.4617422109E-05
 lbfgs> Final DNEB force constant     0.4617422109E-05
 lbfgs> Final DNEB force constant     0.4397544866E-05
 lbfgs> Final DNEB force constant     0.4397544866E-05
 lbfgs> Final DNEB force constant     0.4397544866E-05
 lbfgs> Final DNEB force constant     0.4397544866E-05
 lbfgs> Final DNEB force constant     0.4188137967E-05
 lbfgs> Final DNEB force constant     0.4188137967E-05
 lbfgs> Final DNEB force constant     0.4188137967E-05
 lbfgs> Final DNEB force constant     0.4188137967E-05
 lbfgs> Final DNEB force constant     0.3988702826E-05
 lbfgs> Final DNEB force constant     0.3988702826E-05
 lbfgs> Final DNEB force constant     0.3798764596E-05
 lbfgs> Final DNEB force constant     0.3617871044E-05
 lbfgs> Final DNEB force constant     0.3617871044E-05
 lbfgs> Final DNEB force constant     0.3617871044E-05
 lbfgs> Final DNEB force constant     0.3617871044E-05
 lbfgs> Final DNEB force constant     0.3445591471E-05
 lbfgs> Final DNEB force constant     0.3445591471E-05
 lbfgs> Final DNEB force constant     0.3445591471E-05
 lbfgs> Final DNEB force constant     0.3445591471E-05
 lbfgs> Final DNEB force constant     0.3281515686E-05
 lbfgs> Final DNEB force constant     0.3281515686E-05
 lbfgs> Final DNEB force constant     0.3281515686E-05
 lbfgs> Final DNEB force constant     0.3125253034E-05
 lbfgs> Final DNEB force constant     0.3125253034E-05
 lbfgs> Final DNEB force constant     0.2976431461E-05
 lbfgs> Final DNEB force constant     0.2976431461E-05
 lbfgs> Final DNEB force constant     0.2976431461E-05
 lbfgs> Final DNEB force constant     0.2976431461E-05
 lbfgs> Final DNEB force constant     0.2834696630E-05
 lbfgs> Final DNEB force constant     0.2834696630E-05
 lbfgs> Final DNEB force constant     0.2834696630E-05
 lbfgs> Final DNEB force constant     0.2834696630E-05
 lbfgs> Final DNEB force constant     0.2699711076E-05
 lbfgs> Final DNEB force constant     0.2699711076E-05
 lbfgs> Final DNEB force constant     0.2699711076E-05
 lbfgs> Final DNEB force constant     0.2699711076E-05
 lbfgs> Final DNEB force constant     0.2571153406E-05
 lbfgs> Final DNEB force constant     0.2571153406E-05
 lbfgs> Final DNEB force constant     0.2571153406E-05
 lbfgs> Final DNEB force constant     0.2571153406E-05
 lbfgs> Final DNEB force constant     0.2448717529E-05
 lbfgs> Final DNEB force constant     0.2448717529E-05
 lbfgs> Final DNEB force constant     0.2448717529E-05
 lbfgs> Final DNEB force constant     0.2448717529E-05
 lbfgs> Final DNEB force constant     0.2332111933E-05
 lbfgs> Final DNEB force constant     0.2332111933E-05
 lbfgs> Final DNEB force constant     0.2332111933E-05
 lbfgs> Final DNEB force constant     0.2332111933E-05
 lbfgs> Final DNEB force constant     0.2221058984E-05
 lbfgs> Final DNEB force constant     0.2221058984E-05
 lbfgs> Final DNEB force constant     0.2221058984E-05
 lbfgs> Final DNEB force constant     0.2221058984E-05
 lbfgs> Final DNEB force constant     0.2115294270E-05
 lbfgs> Final DNEB force constant     0.2115294270E-05
 lbfgs> Final DNEB force constant     0.2115294270E-05
 lbfgs> Final DNEB force constant     0.2115294270E-05
 lbfgs> Final DNEB force constant     0.2014565971E-05
 lbfgs> Final DNEB force constant     0.2014565971E-05
 lbfgs> Final DNEB force constant     0.2014565971E-05
 lbfgs> Final DNEB force constant     0.2014565971E-05
 lbfgs> Final DNEB force constant     0.2014565971E-05
 lbfgs> Final DNEB force constant     0.1918634259E-05
 lbfgs> Final DNEB force constant     0.1918634259E-05
 lbfgs> Final DNEB force constant     0.1918634259E-05
 lbfgs> Final DNEB force constant     0.1918634259E-05
 lbfgs> Final DNEB force constant     0.1918634259E-05
 lbfgs> Final DNEB force constant     0.1827270722E-05
 lbfgs> Final DNEB force constant     0.1827270722E-05
 lbfgs> Final DNEB force constant     0.1827270722E-05
 lbfgs> Final DNEB force constant     0.1827270722E-05
 lbfgs> Final DNEB force constant     0.1740257831E-05
 lbfgs> Final DNEB force constant     0.1740257831E-05
 lbfgs> Final DNEB force constant     0.1740257831E-05
 lbfgs> Final DNEB force constant     0.1740257831E-05
 lbfgs> Final DNEB force constant     0.1740257831E-05
 lbfgs> Final DNEB force constant     0.1657388410E-05
 lbfgs> Final DNEB force constant     0.1657388410E-05
 lbfgs> Final DNEB force constant     0.1657388410E-05
 lbfgs> Final DNEB force constant     0.1657388410E-05
 lbfgs> Final DNEB force constant     0.1657388410E-05
 lbfgs> Final DNEB force constant     0.1578465153E-05
 lbfgs> Final DNEB force constant     0.1578465153E-05
 lbfgs> Final DNEB force constant     0.1578465153E-05
 lbfgs> Final DNEB force constant     0.1578465153E-05
 lbfgs> Final DNEB force constant     0.1503300145E-05
 lbfgs> Final DNEB force constant     0.1503300145E-05
 lbfgs> Final DNEB force constant     0.1503300145E-05
 lbfgs> Final DNEB force constant     0.1503300145E-05
 lbfgs> Final DNEB force constant     0.1503300145E-05
 lbfgs> Final DNEB force constant     0.1431714424E-05
 lbfgs> Final DNEB force constant     0.1431714424E-05
 lbfgs> Final DNEB force constant     0.1431714424E-05
 lbfgs> Final DNEB force constant     0.1431714424E-05
 lbfgs> Final DNEB force constant     0.1431714424E-05
 lbfgs> Final DNEB force constant     0.1363537547E-05
 lbfgs> Final DNEB force constant     0.1363537547E-05
 lbfgs> Final DNEB force constant     0.1363537547E-05
 lbfgs> Final DNEB force constant     0.1363537547E-05
 lbfgs> Final DNEB force constant     0.1363537547E-05
 lbfgs> Final DNEB force constant     0.1298607188E-05
 lbfgs> Final DNEB force constant     0.1298607188E-05
 lbfgs> Final DNEB force constant     0.1298607188E-05
 lbfgs> Final DNEB force constant     0.1298607188E-05
 lbfgs> Final DNEB force constant     0.1298607188E-05
 lbfgs> Final DNEB force constant     0.1236768750E-05
 lbfgs> Final DNEB force constant     0.1236768750E-05
 lbfgs> Final DNEB force constant     0.1236768750E-05
 lbfgs> Final DNEB force constant     0.1236768750E-05
 lbfgs> Final DNEB force constant     0.1236768750E-05
 lbfgs> Final DNEB force constant     0.1177875000E-05
 lbfgs> Final DNEB force constant     0.1177875000E-05
 lbfgs> Final DNEB force constant     0.1177875000E-05
 lbfgs> Final DNEB force constant     0.1177875000E-05
 lbfgs> Final DNEB force constant     0.1177875000E-05
 lbfgs> Final DNEB force constant     0.1121785714E-05
 lbfgs> Final DNEB force constant     0.1121785714E-05
 lbfgs> Final DNEB force constant     0.1121785714E-05
 lbfgs> Final DNEB force constant     0.1121785714E-05
 lbfgs> Final DNEB force constant     0.1068367347E-05
 lbfgs> Final DNEB force constant     0.1068367347E-05
 lbfgs> Final DNEB force constant     0.1068367347E-05
 lbfgs> Final DNEB force constant     0.1068367347E-05
 lbfgs> Final DNEB force constant     0.1017492711E-05
 lbfgs> Final DNEB force constant     0.1017492711E-05
 lbfgs> Final DNEB force constant     0.1017492711E-05
 lbfgs> Final DNEB force constant     0.1017492711E-05
 lbfgs> Final DNEB force constant     0.1017492711E-05
 lbfgs> Final DNEB force constant     0.9690406775E-06
 lbfgs> Final DNEB force constant     0.9690406775E-06
 lbfgs> Final DNEB force constant     0.9690406775E-06
 lbfgs> Final DNEB force constant     0.9690406775E-06
 lbfgs> Final DNEB force constant     0.9690406775E-06
 lbfgs> Final DNEB force constant     0.9228958833E-06
 lbfgs> Final DNEB force constant     0.9228958833E-06
 lbfgs> Final DNEB force constant     0.9228958833E-06
 lbfgs> Final DNEB force constant     0.9228958833E-06
 lbfgs> Final DNEB force constant     0.9228958833E-06
 lbfgs> Final DNEB force constant     0.8789484603E-06
 lbfgs> Final DNEB force constant     0.8789484603E-06
 lbfgs> Final DNEB force constant     0.8789484603E-06
 lbfgs> Final DNEB force constant     0.8789484603E-06
 lbfgs> Final DNEB force constant     0.8789484603E-06
 lbfgs> Final DNEB force constant     0.8370937717E-06
 lbfgs> Final DNEB force constant     0.8370937717E-06
 lbfgs> Final DNEB force constant     0.8370937717E-06
 lbfgs> Final DNEB force constant     0.8370937717E-06
 lbfgs> Final DNEB force constant     0.8370937717E-06
 lbfgs> Final DNEB force constant     0.7972321636E-06
 lbfgs> Final DNEB force constant     0.7972321636E-06
 lbfgs> Final DNEB force constant     0.7972321636E-06
 lbfgs> Final DNEB force constant     0.7972321636E-06
 lbfgs> Final DNEB force constant     0.7972321636E-06
 lbfgs> Final DNEB force constant     0.7592687272E-06
 lbfgs> Final DNEB force constant     0.7592687272E-06
 lbfgs> Final DNEB force constant     0.7592687272E-06
 lbfgs> Final DNEB force constant     0.7592687272E-06
 lbfgs> Final DNEB force constant     0.7592687272E-06
 lbfgs> Final DNEB force constant     0.7231130735E-06
 lbfgs> Final DNEB force constant     0.7231130735E-06
 lbfgs> Final DNEB force constant     0.7231130735E-06
 lbfgs> Final DNEB force constant     0.7231130735E-06
 lbfgs> Final DNEB force constant     0.7231130735E-06
 lbfgs> Final DNEB force constant     0.6886791176E-06
 lbfgs> Final DNEB force constant     0.6886791176E-06
 lbfgs> Final DNEB force constant     0.6886791176E-06
 lbfgs> Final DNEB force constant     0.6886791176E-06
 lbfgs> Final DNEB force constant     0.6886791176E-06
 lbfgs> Final DNEB force constant     0.6558848739E-06
 lbfgs> Final DNEB force constant     0.6558848739E-06
 lbfgs> Final DNEB force constant     0.6558848739E-06
 lbfgs> Final DNEB force constant     0.6558848739E-06
 lbfgs> Final DNEB force constant     0.6558848739E-06
 lbfgs> Final DNEB force constant     0.6246522609E-06
 lbfgs> Final DNEB force constant     0.6246522609E-06
 lbfgs> Final DNEB force constant     0.6246522609E-06
 lbfgs> Final DNEB force constant     0.6246522609E-06
 lbfgs> Final DNEB force constant     0.6246522609E-06
 lbfgs> Final DNEB force constant     0.5949069151E-06
 lbfgs> Final DNEB force constant     0.5949069151E-06
 lbfgs> Final DNEB force constant     0.5949069151E-06
 lbfgs> Final DNEB force constant     0.5949069151E-06
 lbfgs> Final DNEB force constant     0.5949069151E-06
 lbfgs> Final DNEB force constant     0.5665780144E-06
 lbfgs> Final DNEB force constant     0.5665780144E-06
 lbfgs> Final DNEB force constant     0.5665780144E-06
 lbfgs> Final DNEB force constant     0.5665780144E-06
 lbfgs> Final DNEB force constant     0.5665780144E-06
 lbfgs> Final DNEB force constant     0.5395981090E-06
 lbfgs> Final DNEB force constant     0.5395981090E-06
 lbfgs> Final DNEB force constant     0.5395981090E-06
 lbfgs> Final DNEB force constant     0.5395981090E-06
 lbfgs> Final DNEB force constant     0.5139029609E-06
 lbfgs> Final DNEB force constant     0.5139029609E-06
 lbfgs> Final DNEB force constant     0.5139029609E-06
 lbfgs> Final DNEB force constant     0.5139029609E-06
 lbfgs> Final DNEB force constant     0.5139029609E-06
 lbfgs> Final DNEB force constant     0.4894313914E-06
 lbfgs> Final DNEB force constant     0.4894313914E-06
 lbfgs> Final DNEB force constant     0.4894313914E-06
 lbfgs> Final DNEB force constant     0.4894313914E-06
 lbfgs> Final DNEB force constant     0.4894313914E-06
 lbfgs> Final DNEB force constant     0.4661251346E-06
 lbfgs> Final DNEB force constant     0.4661251346E-06
 lbfgs> Final DNEB force constant     0.4661251346E-06
 lbfgs> Final DNEB force constant     0.4661251346E-06
 lbfgs> Final DNEB force constant     0.4661251346E-06
 lbfgs> Final DNEB force constant     0.4439286996E-06
 lbfgs> Final DNEB force constant     0.4439286996E-06
 lbfgs> Final DNEB force constant     0.4439286996E-06
 lbfgs> Final DNEB force constant     0.4439286996E-06
 lbfgs> Final DNEB force constant     0.4439286996E-06
 lbfgs> Final DNEB force constant     0.4227892378E-06
 lbfgs> Final DNEB force constant     0.4227892378E-06
 lbfgs> Final DNEB force constant     0.4227892378E-06
 lbfgs> Final DNEB force constant     0.4227892378E-06
 lbfgs> Final DNEB force constant     0.4227892378E-06
 lbfgs> Final DNEB force constant     0.4026564169E-06
 lbfgs> Final DNEB force constant     0.4026564169E-06
 lbfgs> Final DNEB force constant     0.4026564169E-06
 lbfgs> Final DNEB force constant     0.4026564169E-06
 lbfgs> Final DNEB force constant     0.4026564169E-06
 lbfgs> Final DNEB force constant     0.3834823018E-06
 lbfgs> Final DNEB force constant     0.3834823018E-06
 lbfgs> Final DNEB force constant     0.3834823018E-06
 lbfgs> Final DNEB force constant     0.3834823018E-06
 lbfgs> Final DNEB force constant     0.3834823018E-06
 lbfgs> Final DNEB force constant     0.3652212398E-06
 lbfgs> Final DNEB force constant     0.3652212398E-06
 lbfgs> Final DNEB force constant     0.3652212398E-06
 lbfgs> Final DNEB force constant     0.3652212398E-06
 lbfgs> Final DNEB force constant     0.3652212398E-06
 lbfgs> Final DNEB force constant     0.3478297522E-06
 lbfgs> Final DNEB force constant     0.3478297522E-06
 lbfgs> Final DNEB force constant     0.3478297522E-06
 lbfgs> Final DNEB force constant     0.3478297522E-06
 lbfgs> Final DNEB force constant     0.3478297522E-06
 lbfgs> Final DNEB force constant     0.3312664307E-06
 lbfgs> Final DNEB force constant     0.3312664307E-06
 lbfgs> Final DNEB force constant     0.3312664307E-06
 lbfgs> Final DNEB force constant     0.3312664307E-06
 lbfgs> Final DNEB force constant     0.3312664307E-06
 lbfgs> Final DNEB force constant     0.3154918387E-06
 lbfgs> Final DNEB force constant     0.3154918387E-06
 lbfgs> Final DNEB force constant     0.3154918387E-06
 lbfgs> Final DNEB force constant     0.3154918387E-06
 lbfgs> Final DNEB force constant     0.3154918387E-06
 lbfgs> Final DNEB force constant     0.3004684179E-06
 lbfgs> Final DNEB force constant     0.3004684179E-06
 lbfgs> Final DNEB force constant     0.3004684179E-06
 lbfgs> Final DNEB force constant     0.3004684179E-06
 lbfgs> Final DNEB force constant     0.3004684179E-06
 lbfgs> Final DNEB force constant     0.2861603980E-06
 lbfgs> Final DNEB force constant     0.2861603980E-06
 lbfgs> Final DNEB force constant     0.2861603980E-06
 lbfgs> Final DNEB force constant     0.2861603980E-06
 lbfgs> Final DNEB force constant     0.2861603980E-06
 lbfgs> Final DNEB force constant     0.2725337123E-06
 lbfgs> Final DNEB force constant     0.2725337123E-06
 lbfgs> Final DNEB force constant     0.2725337123E-06
 lbfgs> Final DNEB force constant     0.2725337123E-06
 lbfgs> Final DNEB force constant     0.2725337123E-06
 lbfgs> Final DNEB force constant     0.2595559165E-06
 lbfgs> Final DNEB force constant     0.2595559165E-06
 lbfgs> Final DNEB force constant     0.2595559165E-06
 lbfgs> Final DNEB force constant     0.2595559165E-06
 lbfgs> Final DNEB force constant     0.2595559165E-06
 lbfgs> Final DNEB force constant     0.2471961110E-06
 lbfgs> Final DNEB force constant     0.2471961110E-06
 lbfgs> Final DNEB force constant     0.2471961110E-06
 lbfgs> Final DNEB force constant     0.2471961110E-06
 lbfgs> Final DNEB force constant     0.2471961110E-06
 lbfgs> Final DNEB force constant     0.2354248676E-06
 lbfgs> Final DNEB force constant     0.2354248676E-06
 lbfgs> Final DNEB force constant     0.2354248676E-06
 lbfgs> Final DNEB force constant     0.2354248676E-06
 lbfgs> Final DNEB force constant     0.2242141596E-06
 lbfgs> Final DNEB force constant     0.2242141596E-06
 lbfgs> Final DNEB force constant     0.2242141596E-06
 lbfgs> Final DNEB force constant     0.2242141596E-06
 lbfgs> Final DNEB force constant     0.2135372949E-06
 lbfgs> Final DNEB force constant     0.2135372949E-06
 lbfgs> Final DNEB force constant     0.2135372949E-06
 lbfgs> Final DNEB force constant     0.2135372949E-06
 lbfgs> Final DNEB force constant     0.2033688522E-06
 lbfgs> Final DNEB force constant     0.2033688522E-06
 lbfgs> Final DNEB force constant     0.2033688522E-06
 lbfgs> Final DNEB force constant     0.2033688522E-06
 lbfgs> Final DNEB force constant     0.1936846212E-06
 lbfgs> Final DNEB force constant     0.1936846212E-06
 lbfgs> Final DNEB force constant     0.1936846212E-06
 lbfgs> Final DNEB force constant     0.1936846212E-06
 lbfgs> Final DNEB force constant     0.1844615440E-06
 lbfgs> Final DNEB force constant     0.1844615440E-06
 lbfgs> Final DNEB force constant     0.1844615440E-06
 lbfgs> Final DNEB force constant     0.1844615440E-06
 lbfgs> Final DNEB force constant     0.1844615440E-06
 lbfgs> Final DNEB force constant     0.1756776609E-06
 lbfgs> Final DNEB force constant     0.1756776609E-06
 lbfgs> Final DNEB force constant     0.1756776609E-06
 lbfgs> Final DNEB force constant     0.1756776609E-06
 lbfgs> Final DNEB force constant     0.1673120580E-06
 lbfgs> Final DNEB force constant     0.1673120580E-06
 lbfgs> Final DNEB force constant     0.1673120580E-06
 lbfgs> Final DNEB force constant     0.1593448172E-06
 lbfgs> Final DNEB force constant     0.1593448172E-06
 lbfgs> Final DNEB force constant     0.1593448172E-06
 lbfgs> Final DNEB force constant     0.1593448172E-06
 lbfgs> Final DNEB force constant     0.1517569687E-06
 lbfgs> Final DNEB force constant     0.1517569687E-06
 lbfgs> Final DNEB force constant     0.1517569687E-06
 lbfgs> Final DNEB force constant     0.1517569687E-06
 lbfgs> Final DNEB force constant     0.1517569687E-06
 lbfgs> Final DNEB force constant     0.1445304464E-06
 lbfgs> Final DNEB force constant     0.1445304464E-06
 lbfgs> Final DNEB force constant     0.1445304464E-06
 lbfgs> Final DNEB force constant     0.1445304464E-06
 lbfgs> Final DNEB force constant     0.1445304464E-06
 lbfgs> Final DNEB force constant     0.1376480442E-06
 lbfgs> Final DNEB force constant     0.1376480442E-06
 lbfgs> Final DNEB force constant     0.1376480442E-06
 lbfgs> Final DNEB force constant     0.1376480442E-06
 lbfgs> Final DNEB force constant     0.1376480442E-06
 lbfgs> Final DNEB force constant     0.1310933754E-06
 lbfgs> Final DNEB force constant     0.1310933754E-06
 lbfgs> Final DNEB force constant     0.1310933754E-06
 lbfgs> Final DNEB force constant     0.1310933754E-06
 lbfgs> Final DNEB force constant     0.1248508338E-06
 lbfgs> Final DNEB force constant     0.1248508338E-06
 lbfgs> Final DNEB force constant     0.1248508338E-06
 lbfgs> Final DNEB force constant     0.1248508338E-06
 lbfgs> Final DNEB force constant     0.1248508338E-06
 lbfgs> Final DNEB force constant     0.1189055560E-06
 lbfgs> Final DNEB force constant     0.1189055560E-06
 lbfgs> Final DNEB force constant     0.1189055560E-06
 lbfgs> Final DNEB force constant     0.1189055560E-06
 lbfgs> Final DNEB force constant     0.1189055560E-06
 lbfgs> Final DNEB force constant     0.1132433866E-06
 lbfgs> Final DNEB force constant     0.1132433866E-06
 lbfgs> Final DNEB force constant     0.1132433866E-06
 lbfgs> Final DNEB force constant     0.1132433866E-06
 lbfgs> Final DNEB force constant     0.1132433866E-06
 lbfgs> Final DNEB force constant     0.1078508444E-06
 lbfgs> Final DNEB force constant     0.1078508444E-06
 lbfgs> Final DNEB force constant     0.1078508444E-06
 lbfgs> Final DNEB force constant     0.1078508444E-06
 lbfgs> Final DNEB force constant     0.1078508444E-06
 lbfgs> Final DNEB force constant     0.1027150899E-06
 lbfgs> Final DNEB force constant     0.1027150899E-06
 lbfgs> Final DNEB force constant     0.1027150899E-06
 lbfgs> Final DNEB force constant     0.1027150899E-06
 lbfgs> Final DNEB force constant     0.1027150899E-06
 lbfgs> Final DNEB force constant     0.9782389515E-07
 lbfgs> Final DNEB force constant     0.9782389515E-07
 lbfgs> Final DNEB force constant     0.9782389515E-07
 lbfgs> Final DNEB force constant     0.9782389515E-07
 lbfgs> Final DNEB force constant     0.9782389515E-07
 lbfgs> Final DNEB force constant     0.9316561443E-07
 lbfgs> Final DNEB force constant     0.9316561443E-07
 lbfgs> Final DNEB force constant     0.9316561443E-07
 lbfgs> Final DNEB force constant     0.9316561443E-07
 lbfgs> Final DNEB force constant     0.9316561443E-07
 lbfgs> Final DNEB force constant     0.8872915660E-07
 lbfgs> Final DNEB force constant     0.8872915660E-07
 lbfgs> Final DNEB force constant     0.8872915660E-07
 lbfgs> Final DNEB force constant     0.8872915660E-07
 lbfgs> Final DNEB force constant     0.8872915660E-07
 lbfgs> Final DNEB force constant     0.8450395867E-07
 lbfgs> Final DNEB force constant     0.8450395867E-07
 lbfgs> Final DNEB force constant     0.8450395867E-07
 lbfgs> Final DNEB force constant     0.8450395867E-07
 lbfgs> Final DNEB force constant     0.8450395867E-07
 lbfgs> Final DNEB force constant     0.8047996063E-07
 lbfgs> Final DNEB force constant     0.8047996063E-07
 lbfgs> Final DNEB force constant     0.8047996063E-07
 lbfgs> Final DNEB force constant     0.8047996063E-07
 lbfgs> Final DNEB force constant     0.8047996063E-07
 lbfgs> Final DNEB force constant     0.7664758156E-07
 lbfgs> Final DNEB force constant     0.7664758156E-07
 lbfgs> Final DNEB force constant     0.7664758156E-07
 lbfgs> Final DNEB force constant     0.7664758156E-07
 lbfgs> Final DNEB force constant     0.7664758156E-07
 lbfgs> Final DNEB force constant     0.7299769672E-07
 lbfgs> Final DNEB force constant     0.7299769672E-07
 lbfgs> Final DNEB force constant     0.7299769672E-07
 lbfgs> Final DNEB force constant     0.7299769672E-07
 lbfgs> Final DNEB force constant     0.7299769672E-07
 lbfgs> Final DNEB force constant     0.6952161592E-07
 lbfgs> Final DNEB force constant     0.6952161592E-07
 lbfgs> Final DNEB force constant     0.6952161592E-07
 lbfgs> Final DNEB force constant     0.6952161592E-07
 lbfgs> Final DNEB force constant     0.6952161592E-07
 lbfgs> Final DNEB force constant     0.6621106279E-07
 lbfgs> Final DNEB force constant     0.6621106279E-07
 lbfgs> Final DNEB force constant     0.6621106279E-07
 lbfgs> Final DNEB force constant     0.6621106279E-07
 lbfgs> Final DNEB force constant     0.6621106279E-07
 lbfgs> Final DNEB force constant     0.6305815503E-07
 lbfgs> Final DNEB force constant     0.6305815503E-07
 lbfgs> Final DNEB force constant     0.6305815503E-07
 lbfgs> Final DNEB force constant     0.6305815503E-07
 lbfgs> Final DNEB force constant     0.6305815503E-07
 lbfgs> Final DNEB force constant     0.6005538575E-07
 lbfgs> Final DNEB force constant     0.6005538575E-07
 lbfgs> Final DNEB force constant     0.6005538575E-07
 lbfgs> Final DNEB force constant     0.6005538575E-07
 lbfgs> Final DNEB force constant     0.6005538575E-07
 lbfgs> Final DNEB force constant     0.5719560547E-07
 lbfgs> Final DNEB force constant     0.5719560547E-07
 lbfgs> Final DNEB force constant     0.5719560547E-07
 lbfgs> Final DNEB force constant     0.5719560547E-07
 lbfgs> Final DNEB force constant     0.5719560547E-07
 lbfgs> Final DNEB force constant     0.5447200521E-07
 lbfgs> Final DNEB force constant     0.5447200521E-07
 lbfgs> Final DNEB force constant     0.5447200521E-07
 lbfgs> Final DNEB force constant     0.5447200521E-07
 lbfgs> Final DNEB force constant     0.5447200521E-07
 lbfgs> Final DNEB force constant     0.5187810020E-07
 lbfgs> Final DNEB force constant     0.5187810020E-07
 lbfgs> Final DNEB force constant     0.5187810020E-07
 lbfgs> Final DNEB force constant     0.5187810020E-07
 lbfgs> Final DNEB force constant     0.5187810020E-07
 lbfgs> Final DNEB force constant     0.4940771448E-07
 lbfgs> Final DNEB force constant     0.4940771448E-07
 lbfgs> Final DNEB force constant     0.4940771448E-07
 lbfgs> Final DNEB force constant     0.4940771448E-07
 lbfgs> Final DNEB force constant     0.4940771448E-07
 lbfgs> Final DNEB force constant     0.4705496617E-07
 lbfgs> Final DNEB force constant     0.4705496617E-07
 lbfgs> Final DNEB force constant     0.4705496617E-07
 lbfgs> Final DNEB force constant     0.4705496617E-07
 lbfgs> Final DNEB force constant     0.4705496617E-07
 lbfgs> Final DNEB force constant     0.4481425349E-07
 lbfgs> Final DNEB force constant     0.4481425349E-07
 lbfgs> Final DNEB force constant     0.4481425349E-07
 lbfgs> Final DNEB force constant     0.4481425349E-07
 lbfgs> Final DNEB force constant     0.4481425349E-07
 lbfgs> Final DNEB force constant     0.4268024142E-07
 lbfgs> Final DNEB force constant     0.4268024142E-07
 lbfgs> Final DNEB force constant     0.4268024142E-07
 lbfgs> Final DNEB force constant     0.4268024142E-07
 lbfgs> Final DNEB force constant     0.4268024142E-07
 lbfgs> Final DNEB force constant     0.4064784897E-07
 lbfgs> Final DNEB force constant     0.4064784897E-07
 lbfgs> Final DNEB force constant     0.4064784897E-07
 lbfgs> Final DNEB force constant     0.4064784897E-07
 lbfgs> Final DNEB force constant     0.4064784897E-07
 lbfgs> Final DNEB force constant     0.3871223712E-07
 lbfgs> Final DNEB force constant     0.3871223712E-07
 lbfgs> Final DNEB force constant     0.3871223712E-07
 lbfgs> Final DNEB force constant     0.3871223712E-07
 lbfgs> Final DNEB force constant     0.3871223712E-07
 lbfgs> Final DNEB force constant     0.3686879726E-07
 lbfgs> Final DNEB force constant     0.3686879726E-07
 lbfgs> Final DNEB force constant     0.3686879726E-07
 lbfgs> Final DNEB force constant     0.3686879726E-07
 lbfgs> Final DNEB force constant     0.3686879726E-07
 lbfgs> Final DNEB force constant     0.3511314024E-07
 lbfgs> Final DNEB force constant     0.3511314024E-07
 lbfgs> Final DNEB force constant     0.3511314024E-07
 lbfgs> Final DNEB force constant     0.3511314024E-07
 lbfgs> Final DNEB force constant     0.3511314024E-07
 lbfgs> Final DNEB force constant     0.3344108595E-07
 lbfgs> Final DNEB force constant     0.3344108595E-07
 lbfgs> Final DNEB force constant     0.3344108595E-07
 lbfgs> Final DNEB force constant     0.3344108595E-07
 lbfgs> Final DNEB force constant     0.3344108595E-07
 lbfgs> Final DNEB force constant     0.3184865328E-07
 lbfgs> Final DNEB force constant     0.3184865328E-07
 lbfgs> Final DNEB force constant     0.3184865328E-07
 lbfgs> Final DNEB force constant     0.3184865328E-07
 lbfgs> Final DNEB force constant     0.3184865328E-07
 lbfgs> Final DNEB force constant     0.3033205075E-07
 lbfgs> Final DNEB force constant     0.3033205075E-07
 lbfgs> Final DNEB force constant     0.3033205075E-07
 lbfgs> Final DNEB force constant     0.3033205075E-07
 lbfgs> Final DNEB force constant     0.3033205075E-07
 lbfgs> Final DNEB force constant     0.2888766738E-07
 lbfgs> Final DNEB force constant     0.2888766738E-07
 lbfgs> Final DNEB force constant     0.2888766738E-07
 lbfgs> Final DNEB force constant     0.2888766738E-07
 lbfgs> Final DNEB force constant     0.2888766738E-07
 lbfgs> Final DNEB force constant     0.2751206417E-07
 lbfgs> Final DNEB force constant     0.2751206417E-07
 lbfgs> Final DNEB force constant     0.2751206417E-07
 lbfgs> Final DNEB force constant     0.2751206417E-07
 lbfgs> Final DNEB force constant     0.2751206417E-07
 lbfgs> Final DNEB force constant     0.2620196587E-07
 lbfgs> Final DNEB force constant     0.2620196587E-07
 lbfgs> Final DNEB force constant     0.2620196587E-07
 lbfgs> Final DNEB force constant     0.2620196587E-07
 lbfgs> Final DNEB force constant     0.2620196587E-07
 lbfgs> Final DNEB force constant     0.2495425321E-07
 lbfgs> Final DNEB force constant     0.2495425321E-07
 lbfgs> Final DNEB force constant     0.2495425321E-07
 lbfgs> Final DNEB force constant     0.2495425321E-07
 lbfgs> Final DNEB force constant     0.2495425321E-07
 lbfgs> Final DNEB force constant     0.2376595544E-07
 lbfgs> Final DNEB force constant     0.2376595544E-07
 lbfgs> Final DNEB force constant     0.2376595544E-07
 lbfgs> Final DNEB force constant     0.2376595544E-07
 lbfgs> Final DNEB force constant     0.2376595544E-07
 lbfgs> Final DNEB force constant     0.2263424328E-07
 lbfgs> Final DNEB force constant     0.2263424328E-07
 lbfgs> Final DNEB force constant     0.2263424328E-07
 lbfgs> Final DNEB force constant     0.2263424328E-07
 lbfgs> Final DNEB force constant     0.2263424328E-07
 lbfgs> Final DNEB force constant     0.2155642217E-07
 lbfgs> Final DNEB force constant     0.2155642217E-07
 lbfgs> Final DNEB force constant     0.2155642217E-07
 lbfgs> Final DNEB force constant     0.2155642217E-07
 lbfgs> Final DNEB force constant     0.2155642217E-07
 lbfgs> Final DNEB force constant     0.2052992588E-07
 lbfgs> Final DNEB force constant     0.2052992588E-07
 lbfgs> Final DNEB force constant     0.2052992588E-07
 lbfgs> Final DNEB force constant     0.2052992588E-07
 lbfgs> Final DNEB force constant     0.2052992588E-07
 lbfgs> Final DNEB force constant     0.1955231036E-07
 lbfgs> Final DNEB force constant     0.1955231036E-07
 lbfgs> Final DNEB force constant     0.1955231036E-07
 lbfgs> Final DNEB force constant     0.1955231036E-07
 lbfgs> Final DNEB force constant     0.1955231036E-07
 lbfgs> Final DNEB force constant     0.1862124796E-07
 lbfgs> Final DNEB force constant     0.1862124796E-07
 lbfgs> Final DNEB force constant     0.1862124796E-07
 lbfgs> Final DNEB force constant     0.1862124796E-07
 lbfgs> Final DNEB force constant     0.1862124796E-07
 lbfgs> Final DNEB force constant     0.1773452187E-07
 lbfgs> Final DNEB force constant     0.1773452187E-07
 lbfgs> Final DNEB force constant     0.1773452187E-07
 lbfgs> Final DNEB force constant     0.1773452187E-07
 lbfgs> Final DNEB force constant     0.1773452187E-07
 lbfgs> Final DNEB force constant     0.1689002082E-07
 lbfgs> Final DNEB force constant     0.1689002082E-07
 lbfgs> Final DNEB force constant     0.1689002082E-07
 lbfgs> Final DNEB force constant     0.1689002082E-07
 lbfgs> Final DNEB force constant     0.1689002082E-07
 lbfgs> Final DNEB force constant     0.1608573412E-07
 lbfgs> Final DNEB force constant     0.1608573412E-07
 lbfgs> Final DNEB force constant     0.1608573412E-07
 lbfgs> Final DNEB force constant     0.1608573412E-07
 lbfgs> Final DNEB force constant     0.1608573412E-07
 lbfgs> Final DNEB force constant     0.1531974678E-07
 lbfgs> Final DNEB force constant     0.1531974678E-07
 lbfgs> Final DNEB force constant     0.1531974678E-07
 lbfgs> Final DNEB force constant     0.1531974678E-07
 lbfgs> Final DNEB force constant     0.1531974678E-07
 lbfgs> Final DNEB force constant     0.1459023503E-07
 lbfgs> Final DNEB force constant     0.1459023503E-07
 lbfgs> Final DNEB force constant     0.1459023503E-07
 lbfgs> Final DNEB force constant     0.1459023503E-07
 lbfgs> Final DNEB force constant     0.1459023503E-07
 lbfgs> Final DNEB force constant     0.1389546193E-07
 lbfgs> Final DNEB force constant     0.1389546193E-07
 lbfgs> Final DNEB force constant     0.1389546193E-07
 lbfgs> Final DNEB force constant     0.1389546193E-07
 lbfgs> Final DNEB force constant     0.1389546193E-07
 lbfgs> Final DNEB force constant     0.1323377327E-07
 lbfgs> Final DNEB force constant     0.1323377327E-07
 lbfgs> Final DNEB force constant     0.1323377327E-07
 lbfgs> Final DNEB force constant     0.1323377327E-07
 lbfgs> Final DNEB force constant     0.1323377327E-07
 lbfgs> Final DNEB force constant     0.1260359359E-07
 lbfgs> Final DNEB force constant     0.1260359359E-07
 lbfgs> Final DNEB force constant     0.1260359359E-07
 lbfgs> Final DNEB force constant     0.1260359359E-07
 lbfgs> Final DNEB force constant     0.1260359359E-07
 lbfgs> Final DNEB force constant     0.1200342247E-07
 lbfgs> Final DNEB force constant     0.1200342247E-07
 lbfgs> Final DNEB force constant     0.1200342247E-07
 lbfgs> Final DNEB force constant     0.1200342247E-07
 lbfgs> Final DNEB force constant     0.1200342247E-07
 lbfgs> Final DNEB force constant     0.1143183092E-07
 lbfgs> Final DNEB force constant     0.1143183092E-07
 lbfgs> Final DNEB force constant     0.1143183092E-07
 lbfgs> Final DNEB force constant     0.1143183092E-07
 lbfgs> Final DNEB force constant     0.1143183092E-07
 lbfgs> Final DNEB force constant     0.1088745802E-07
 lbfgs> Final DNEB force constant     0.1088745802E-07
 lbfgs> Final DNEB force constant     0.1088745802E-07
 lbfgs> Final DNEB force constant     0.1088745802E-07
 lbfgs> Final DNEB force constant     0.1088745802E-07
 lbfgs> Final DNEB force constant     0.1036900764E-07
 lbfgs> Final DNEB force constant     0.1036900764E-07
 lbfgs> Final DNEB force constant     0.1036900764E-07
 lbfgs> Final DNEB force constant     0.1036900764E-07
 lbfgs> Final DNEB force constant     0.1036900764E-07
 lbfgs> Final DNEB force constant     0.9875245369E-08
 lbfgs> Final DNEB force constant     0.9875245369E-08
 lbfgs> Final DNEB force constant     0.9875245369E-08
 lbfgs> Final DNEB force constant     0.9875245369E-08
 lbfgs> Final DNEB force constant     0.9875245369E-08
 lbfgs> Final DNEB force constant     0.9404995589E-08
 lbfgs> Final DNEB force constant     0.9404995589E-08
 lbfgs> Final DNEB force constant     0.9404995589E-08
 lbfgs> Final DNEB force constant     0.9404995589E-08
 lbfgs> Final DNEB force constant     0.9404995589E-08
 lbfgs> Final DNEB force constant     0.8957138656E-08
 lbfgs> Final DNEB force constant     0.8957138656E-08
 lbfgs> Final DNEB force constant     0.8957138656E-08
 lbfgs> Final DNEB force constant     0.8957138656E-08
 lbfgs> Final DNEB force constant     0.8957138656E-08
 lbfgs> Final DNEB force constant     0.8530608244E-08
 lbfgs> Final DNEB force constant     0.8530608244E-08
 lbfgs> Final DNEB force constant     0.8530608244E-08
 lbfgs> Final DNEB force constant     0.8530608244E-08
 lbfgs> Final DNEB force constant     0.8530608244E-08
 lbfgs> Final DNEB force constant     0.8124388804E-08
 lbfgs> Final DNEB force constant     0.8124388804E-08
 lbfgs> Final DNEB force constant     0.8124388804E-08
 lbfgs> Final DNEB force constant     0.8124388804E-08
 lbfgs> Final DNEB force constant     0.8124388804E-08
 lbfgs> Final DNEB force constant     0.7737513147E-08
 lbfgs> Final DNEB force constant     0.7737513147E-08
 lbfgs> Final DNEB force constant     0.7737513147E-08
 lbfgs> Final DNEB force constant     0.7737513147E-08
 lbfgs> Final DNEB force constant     0.7737513147E-08
 lbfgs> Final DNEB force constant     0.7369060140E-08
 lbfgs> Final DNEB force constant     0.7369060140E-08
 lbfgs> Final DNEB force constant     0.7369060140E-08
 lbfgs> Final DNEB force constant     0.7369060140E-08
 lbfgs> Final DNEB force constant     0.7369060140E-08
 lbfgs> Final DNEB force constant     0.7018152514E-08
 lbfgs> Final DNEB force constant     0.7018152514E-08
 lbfgs> Final DNEB force constant     0.7018152514E-08
 lbfgs> Final DNEB force constant     0.7018152514E-08
 lbfgs> Final DNEB force constant     0.7018152514E-08
 lbfgs> Final DNEB force constant     0.6683954775E-08
 lbfgs> Final DNEB force constant     0.6683954775E-08
 lbfgs> Final DNEB force constant     0.6683954775E-08
 lbfgs> Final DNEB force constant     0.6683954775E-08
 lbfgs> Final DNEB force constant     0.6683954775E-08
 lbfgs> Final DNEB force constant     0.6365671214E-08
 lbfgs> Final DNEB force constant     0.6365671214E-08
 lbfgs> Final DNEB force constant     0.6365671214E-08
 lbfgs> Final DNEB force constant     0.6365671214E-08
 lbfgs> Final DNEB force constant     0.6365671214E-08
 lbfgs> Final DNEB force constant     0.6062544014E-08
 lbfgs> Final DNEB force constant     0.6062544014E-08
 lbfgs> Final DNEB force constant     0.6062544014E-08
 lbfgs> Final DNEB force constant     0.6062544014E-08
 lbfgs> Final DNEB force constant     0.6062544014E-08
 lbfgs> Final DNEB force constant     0.5773851442E-08
 lbfgs> Final DNEB force constant     0.5773851442E-08
 lbfgs> Final DNEB force constant     0.5773851442E-08
 lbfgs> Final DNEB force constant     0.5773851442E-08
 lbfgs> Final DNEB force constant     0.5773851442E-08
 lbfgs> Final DNEB force constant     0.5498906135E-08
 lbfgs> Final DNEB force constant     0.5498906135E-08
 lbfgs> Final DNEB force constant     0.5498906135E-08
 lbfgs> Final DNEB force constant     0.5498906135E-08
 lbfgs> Final DNEB force constant     0.5498906135E-08
 lbfgs> Final DNEB force constant     0.5237053462E-08
 lbfgs> Final DNEB force constant     0.5237053462E-08
 lbfgs> Final DNEB force constant     0.5237053462E-08
 lbfgs> Final DNEB force constant     0.5237053462E-08
 lbfgs> Final DNEB force constant     0.5237053462E-08
 lbfgs> Final DNEB force constant     0.4987669964E-08
 lbfgs> Final DNEB force constant     0.4987669964E-08
 lbfgs> Final DNEB force constant     0.4987669964E-08
 lbfgs> Final DNEB force constant     0.4987669964E-08
 lbfgs> Final DNEB force constant     0.4987669964E-08
 lbfgs> Final DNEB force constant     0.4750161870E-08
 lbfgs> Final DNEB force constant     0.4750161870E-08
 lbfgs> Final DNEB force constant     0.4750161870E-08
 lbfgs> Final DNEB force constant     0.4750161870E-08
 lbfgs> Final DNEB force constant     0.4750161870E-08
 lbfgs> Final DNEB force constant     0.4523963686E-08
 lbfgs> Final DNEB force constant     0.4523963686E-08
 lbfgs> Final DNEB force constant     0.4523963686E-08
 lbfgs> Final DNEB force constant     0.4523963686E-08
 lbfgs> Final DNEB force constant     0.4523963686E-08
 lbfgs> Final DNEB force constant     0.4308536844E-08
 lbfgs> Final DNEB force constant     0.4308536844E-08
 lbfgs> Final DNEB force constant     0.4308536844E-08
 lbfgs> Final DNEB force constant     0.4308536844E-08
 lbfgs> Final DNEB force constant     0.4308536844E-08
 lbfgs> Final DNEB force constant     0.4103368423E-08
 lbfgs> Final DNEB force constant     0.4103368423E-08
 lbfgs> Final DNEB force constant     0.4103368423E-08
 lbfgs> Final DNEB force constant     0.4103368423E-08
 lbfgs> Final DNEB force constant     0.4103368423E-08
 lbfgs> Final DNEB force constant     0.3907969926E-08
 lbfgs> Final DNEB force constant     0.3907969926E-08
 lbfgs> Final DNEB force constant     0.3907969926E-08
 lbfgs> Final DNEB force constant     0.3907969926E-08
 lbfgs> Final DNEB force constant     0.3907969926E-08
 lbfgs> Final DNEB force constant     0.3721876120E-08
 lbfgs> Final DNEB force constant     0.3721876120E-08
 lbfgs> Final DNEB force constant     0.3721876120E-08
 lbfgs> Final DNEB force constant     0.3721876120E-08
 lbfgs> Final DNEB force constant     0.3721876120E-08
 lbfgs> Final DNEB force constant     0.3544643924E-08
 lbfgs> Final DNEB force constant     0.3544643924E-08
 lbfgs> Final DNEB force constant     0.3544643924E-08
 lbfgs> Final DNEB force constant     0.3544643924E-08
 lbfgs> Final DNEB force constant     0.3544643924E-08
 lbfgs> Final DNEB force constant     0.3375851356E-08
 lbfgs> Final DNEB force constant     0.3375851356E-08
 lbfgs> Final DNEB force constant     0.3375851356E-08
 lbfgs> Final DNEB force constant     0.3375851356E-08
 lbfgs> Final DNEB force constant     0.3375851356E-08
 lbfgs> Final DNEB force constant     0.3215096530E-08
 lbfgs> Final DNEB force constant     0.3215096530E-08
 lbfgs> Final DNEB force constant     0.3215096530E-08
 lbfgs> Final DNEB force constant     0.3215096530E-08
 lbfgs> Final DNEB force constant     0.3215096530E-08
 lbfgs> Final DNEB force constant     0.3061996695E-08
 lbfgs> Final DNEB force constant     0.3061996695E-08
 lbfgs> Final DNEB force constant     0.3061996695E-08
 lbfgs> Final DNEB force constant     0.3061996695E-08
 lbfgs> Final DNEB force constant     0.3061996695E-08
 lbfgs> Final DNEB force constant     0.2916187329E-08
 lbfgs> Final DNEB force constant     0.2916187329E-08
 lbfgs> Final DNEB force constant     0.2916187329E-08
 lbfgs> Final DNEB force constant     0.2916187329E-08
 lbfgs> Final DNEB force constant     0.2916187329E-08
 lbfgs> Final DNEB force constant     0.2777321265E-08
 lbfgs> Final DNEB force constant     0.2777321265E-08
 lbfgs> Final DNEB force constant     0.2777321265E-08
 lbfgs> Final DNEB force constant     0.2777321265E-08
 lbfgs> Final DNEB force constant     0.2777321265E-08
 lbfgs> Final DNEB force constant     0.2645067872E-08
 lbfgs> Final DNEB force constant     0.2645067872E-08
 lbfgs> Final DNEB force constant     0.2645067872E-08
 lbfgs> Final DNEB force constant     0.2645067872E-08
 lbfgs> Final DNEB force constant     0.2645067872E-08
 lbfgs> Final DNEB force constant     0.2519112259E-08
 lbfgs> Final DNEB force constant     0.2519112259E-08
 lbfgs> Final DNEB force constant     0.2519112259E-08
 lbfgs> Final DNEB force constant     0.2519112259E-08
 lbfgs> Final DNEB force constant     0.2519112259E-08
 lbfgs> Final DNEB force constant     0.2399154532E-08
 lbfgs> Final DNEB force constant     0.2399154532E-08
 lbfgs> Final DNEB force constant     0.2399154532E-08
 lbfgs> Final DNEB force constant     0.2399154532E-08
 lbfgs> Final DNEB force constant     0.2399154532E-08
 lbfgs> Final DNEB force constant     0.2284909078E-08
 lbfgs> Final DNEB force constant     0.2284909078E-08
 lbfgs> Final DNEB force constant     0.2284909078E-08
 lbfgs> Final DNEB force constant     0.2284909078E-08
 lbfgs> Final DNEB force constant     0.2284909078E-08
 lbfgs> Final DNEB force constant     0.2176103884E-08
 lbfgs> Final DNEB force constant     0.2176103884E-08
 lbfgs> Final DNEB force constant     0.2176103884E-08
 lbfgs> Final DNEB force constant     0.2176103884E-08
 lbfgs> Final DNEB force constant     0.2176103884E-08
 lbfgs> Final DNEB force constant     0.2072479890E-08
 lbfgs> Final DNEB force constant     0.2072479890E-08
 lbfgs> Final DNEB force constant     0.2072479890E-08
 lbfgs> Final DNEB force constant     0.2072479890E-08
 lbfgs> Final DNEB force constant     0.2072479890E-08
 lbfgs> Final DNEB force constant     0.1973790371E-08
 lbfgs> Final DNEB force constant     0.1973790371E-08
 lbfgs> Final DNEB force constant     0.1973790371E-08
 lbfgs> Final DNEB force constant     0.1973790371E-08
 lbfgs> Final DNEB force constant     0.1973790371E-08
 lbfgs> Final DNEB force constant     0.1879800353E-08
 lbfgs> Final DNEB force constant     0.1879800353E-08
 lbfgs> Final DNEB force constant     0.1879800353E-08
 lbfgs> Final DNEB force constant     0.1879800353E-08
 lbfgs> Final DNEB force constant     0.1879800353E-08
 lbfgs> Final DNEB force constant     0.1790286051E-08
 lbfgs> Final DNEB force constant     0.1790286051E-08
 lbfgs> Final DNEB force constant     0.1790286051E-08
 lbfgs> Final DNEB force constant     0.1790286051E-08
 lbfgs> Final DNEB force constant     0.1790286051E-08
 lbfgs> Final DNEB force constant     0.1705034334E-08
 lbfgs> Final DNEB force constant     0.1705034334E-08
 lbfgs> Final DNEB force constant     0.1705034334E-08
 lbfgs> Final DNEB force constant     0.1705034334E-08
 lbfgs> Final DNEB force constant     0.1705034334E-08
 lbfgs> Final DNEB force constant     0.1623842223E-08
 lbfgs> Final DNEB force constant     0.1623842223E-08
 lbfgs> Final DNEB force constant     0.1623842223E-08
 lbfgs> Final DNEB force constant     0.1623842223E-08
 lbfgs> Final DNEB force constant     0.1623842223E-08
 lbfgs> Final DNEB force constant     0.1546516403E-08
 lbfgs> Final DNEB force constant     0.1546516403E-08
 lbfgs> Final DNEB force constant     0.1546516403E-08
 lbfgs> Final DNEB force constant     0.1546516403E-08
 lbfgs> Final DNEB force constant     0.1546516403E-08
 lbfgs> Final DNEB force constant     0.1472872765E-08
 lbfgs> Final DNEB force constant     0.1472872765E-08
 lbfgs> Final DNEB force constant     0.1472872765E-08
 lbfgs> Final DNEB force constant     0.1472872765E-08
 lbfgs> Final DNEB force constant     0.1472872765E-08
 lbfgs> Final DNEB force constant     0.1402735966E-08
 lbfgs> Final DNEB force constant     0.1402735966E-08
 lbfgs> Final DNEB force constant     0.1402735966E-08
 lbfgs> Final DNEB force constant     0.1402735966E-08
 lbfgs> Final DNEB force constant     0.1402735966E-08
 lbfgs> Final DNEB force constant     0.1335939015E-08
 lbfgs> Final DNEB force constant     0.1335939015E-08
 lbfgs> Final DNEB force constant     0.1335939015E-08
 lbfgs> Final DNEB force constant     0.1335939015E-08
 lbfgs> Final DNEB force constant     0.1335939015E-08
 lbfgs> Final DNEB force constant     0.1272322872E-08
 lbfgs> Final DNEB force constant     0.1272322872E-08
 lbfgs> Final DNEB force constant     0.1272322872E-08
 lbfgs> Final DNEB force constant     0.1272322872E-08
 lbfgs> Final DNEB force constant     0.1272322872E-08
 lbfgs> Final DNEB force constant     0.1211736068E-08
 lbfgs> Final DNEB force constant     0.1211736068E-08
 lbfgs> Final DNEB force constant     0.1211736068E-08
 lbfgs> Final DNEB force constant     0.1211736068E-08
 lbfgs> Final DNEB force constant     0.1211736068E-08
 lbfgs> Final DNEB force constant     0.1154034351E-08
 lbfgs> Final DNEB force constant     0.1154034351E-08
 lbfgs> Final DNEB force constant     0.1154034351E-08
 lbfgs> Final DNEB force constant     0.1154034351E-08
 lbfgs> Final DNEB force constant     0.1154034351E-08
 lbfgs> Final DNEB force constant     0.1099080334E-08
 lbfgs> Final DNEB force constant     0.1099080334E-08
 lbfgs> Final DNEB force constant     0.1099080334E-08
 lbfgs> Final DNEB force constant     0.1099080334E-08
 lbfgs> Final DNEB force constant     0.1099080334E-08
 lbfgs> Final DNEB force constant     0.1046743175E-08
 lbfgs> Final DNEB force constant     0.1046743175E-08
 lbfgs> Final DNEB force constant     0.1046743175E-08
 lbfgs> Final DNEB force constant     0.1046743175E-08
 lbfgs> Final DNEB force constant     0.1046743175E-08
 lbfgs> Final DNEB force constant     0.9968982623E-09
 lbfgs> Final DNEB force constant     0.9968982623E-09
 lbfgs> Final DNEB force constant     0.9968982623E-09
 lbfgs> Final DNEB force constant     0.9968982623E-09
 lbfgs> Final DNEB force constant     0.9968982623E-09
 lbfgs> Final DNEB force constant     0.9494269165E-09
 lbfgs> Final DNEB force constant     0.9494269165E-09
 lbfgs> Final DNEB force constant     0.9494269165E-09
 lbfgs> Final DNEB force constant     0.9494269165E-09
 lbfgs> Final DNEB force constant     0.9494269165E-09
 lbfgs> Final DNEB force constant     0.9042161110E-09
 lbfgs> Final DNEB force constant     0.9042161110E-09
 lbfgs> Final DNEB force constant     0.9042161110E-09
 lbfgs> Final DNEB force constant     0.9042161110E-09
 lbfgs> Final DNEB force constant     0.9042161110E-09
 lbfgs> Final DNEB force constant     0.8611582009E-09
 lbfgs> Final DNEB force constant     0.8611582009E-09
 lbfgs> Final DNEB force constant     0.8611582009E-09
 lbfgs> Final DNEB force constant     0.8611582009E-09
 lbfgs> Final DNEB force constant     0.8611582009E-09
 lbfgs> Final DNEB force constant     0.8201506675E-09
 lbfgs> Final DNEB force constant     0.8201506675E-09
 lbfgs> Final DNEB force constant     0.8201506675E-09
 lbfgs> Final DNEB force constant     0.8201506675E-09
 lbfgs> Final DNEB force constant     0.8201506675E-09
 lbfgs> Final DNEB force constant     0.7810958738E-09
 lbfgs> Final DNEB force constant     0.7810958738E-09
 lbfgs> Final DNEB force constant     0.7810958738E-09
 lbfgs> Final DNEB force constant     0.7810958738E-09
 lbfgs> Final DNEB force constant     0.7810958738E-09
 lbfgs> Final DNEB force constant     0.7439008322E-09
 lbfgs> Final DNEB force constant     0.7439008322E-09
 lbfgs> Final DNEB force constant     0.7439008322E-09
 lbfgs> Final DNEB force constant     0.7439008322E-09
 lbfgs> Final DNEB force constant     0.7439008322E-09
 lbfgs> Final DNEB force constant     0.7084769831E-09
 lbfgs> Final DNEB force constant     0.7084769831E-09
 lbfgs> Final DNEB force constant     0.7084769831E-09
 lbfgs> Final DNEB force constant     0.7084769831E-09
 lbfgs> Final DNEB force constant     0.7084769831E-09
 lbfgs> Final DNEB force constant     0.6747399839E-09
 lbfgs> Final DNEB force constant     0.6747399839E-09
 lbfgs> Final DNEB force constant     0.6747399839E-09
 lbfgs> Final DNEB force constant     0.6747399839E-09
 lbfgs> Final DNEB force constant     0.6747399839E-09
 lbfgs> Final DNEB force constant     0.6426095085E-09
 lbfgs> Final DNEB force constant     0.6426095085E-09
 lbfgs> Final DNEB force constant     0.6426095085E-09
 lbfgs> Final DNEB force constant     0.6426095085E-09
 lbfgs> Final DNEB force constant     0.6426095085E-09
 lbfgs> Final DNEB force constant     0.6120090557E-09
 lbfgs> Final DNEB force constant     0.6120090557E-09
 lbfgs> Final DNEB force constant     0.6120090557E-09
 lbfgs> Final DNEB force constant     0.6120090557E-09
 lbfgs> Final DNEB force constant     0.6120090557E-09
 lbfgs> Final DNEB force constant     0.5828657673E-09
 lbfgs> Final DNEB force constant     0.5828657673E-09
 lbfgs> Final DNEB force constant     0.5828657673E-09
 lbfgs> Final DNEB force constant     0.5828657673E-09
 lbfgs> Final DNEB force constant     0.5828657673E-09
 lbfgs> Final DNEB force constant     0.5551102546E-09
 lbfgs> Final DNEB force constant     0.5551102546E-09
 lbfgs> Final DNEB force constant     0.5551102546E-09
 lbfgs> Final DNEB force constant     0.5551102546E-09
 lbfgs> Final DNEB force constant     0.5551102546E-09
 lbfgs> Final DNEB force constant     0.5286764329E-09
 lbfgs> Final DNEB force constant     0.5286764329E-09
 lbfgs> Final DNEB force constant     0.5286764329E-09
 lbfgs> Final DNEB force constant     0.5286764329E-09
 lbfgs> Final DNEB force constant     0.5286764329E-09
 lbfgs> Final DNEB force constant     0.5035013647E-09
 lbfgs> Final DNEB force constant     0.5035013647E-09
 lbfgs> Final DNEB force constant     0.5035013647E-09
 lbfgs> Final DNEB force constant     0.5035013647E-09
 lbfgs> Final DNEB force constant     0.5035013647E-09
 lbfgs> Final DNEB force constant     0.4795251092E-09
 lbfgs> Final DNEB force constant     0.4795251092E-09
 lbfgs> Final DNEB force constant     0.4795251092E-09
 lbfgs> Final DNEB force constant     0.4795251092E-09
 lbfgs> Final DNEB force constant     0.4795251092E-09
 lbfgs> Final DNEB force constant     0.4566905802E-09
 lbfgs> Final DNEB force constant     0.4566905802E-09
 lbfgs> Final DNEB force constant     0.4566905802E-09
 lbfgs> Final DNEB force constant     0.4566905802E-09
 lbfgs> Final DNEB force constant     0.4566905802E-09
 lbfgs> Final DNEB force constant     0.4349434097E-09
 lbfgs> Final DNEB force constant     0.4349434097E-09
 lbfgs> Final DNEB force constant     0.4349434097E-09
 lbfgs> Final DNEB force constant     0.4349434097E-09
 lbfgs> Final DNEB force constant     0.4349434097E-09
 lbfgs> Final DNEB force constant     0.4142318188E-09
 lbfgs> Final DNEB force constant     0.4142318188E-09
 lbfgs> Final DNEB force constant     0.4142318188E-09
 lbfgs> Final DNEB force constant     0.4142318188E-09
 lbfgs> Final DNEB force constant     0.4142318188E-09
 lbfgs> Final DNEB force constant     0.3945064941E-09
 lbfgs> Final DNEB force constant     0.3945064941E-09
 lbfgs> Final DNEB force constant     0.3945064941E-09
 lbfgs> Final DNEB force constant     0.3945064941E-09
 lbfgs> Final DNEB force constant     0.3945064941E-09
 lbfgs> Final DNEB force constant     0.3757204706E-09
 lbfgs> Final DNEB force constant     0.3757204706E-09
 lbfgs> Final DNEB force constant     0.3757204706E-09
 lbfgs> Final DNEB force constant     0.3757204706E-09
 lbfgs> Final DNEB force constant     0.3757204706E-09
 lbfgs> Final DNEB force constant     0.3578290196E-09
 lbfgs> Final DNEB force constant     0.3578290196E-09
 lbfgs> Final DNEB force constant     0.3578290196E-09
 lbfgs> Final DNEB force constant     0.3578290196E-09
 lbfgs> Final DNEB force constant     0.3578290196E-09
 lbfgs> Final DNEB force constant     0.3407895425E-09
 lbfgs> Final DNEB force constant     0.3407895425E-09
 lbfgs> Final DNEB force constant     0.3407895425E-09
 lbfgs> Final DNEB force constant     0.3407895425E-09
 lbfgs> Final DNEB force constant     0.3407895425E-09
 lbfgs> Final DNEB force constant     0.3245614690E-09
 lbfgs> Final DNEB force constant     0.3245614690E-09
 lbfgs> Final DNEB force constant     0.3245614690E-09
 lbfgs> Final DNEB force constant     0.3245614690E-09
 lbfgs> Final DNEB force constant     0.3245614690E-09
 lbfgs> Final DNEB force constant     0.3091061610E-09
 lbfgs> Final DNEB force constant     0.3091061610E-09
 lbfgs> Final DNEB force constant     0.3091061610E-09
 lbfgs> Final DNEB force constant     0.3091061610E-09
 lbfgs> Final DNEB force constant     0.3091061610E-09
 lbfgs> Final DNEB force constant     0.2943868200E-09
 lbfgs> Final DNEB force constant     0.2943868200E-09
 lbfgs> Final DNEB force constant     0.2943868200E-09
 lbfgs> Final DNEB force constant     0.2943868200E-09
 lbfgs> Final DNEB force constant     0.2943868200E-09
 lbfgs> Final DNEB force constant     0.2803684000E-09
 lbfgs> Final DNEB force constant     0.2803684000E-09
 lbfgs> Final DNEB force constant     0.2803684000E-09
 lbfgs> Final DNEB force constant     0.2803684000E-09
 lbfgs> Final DNEB force constant     0.2803684000E-09
 lbfgs> Final DNEB force constant     0.2670175238E-09
 lbfgs> Final DNEB force constant     0.2670175238E-09
 lbfgs> Final DNEB force constant     0.2670175238E-09
 lbfgs> Final DNEB force constant     0.2670175238E-09
 lbfgs> Final DNEB force constant     0.2670175238E-09
 lbfgs> Final DNEB force constant     0.2543024036E-09
 lbfgs> Final DNEB force constant     0.2543024036E-09
 lbfgs> Final DNEB force constant     0.2543024036E-09
 lbfgs> Final DNEB force constant     0.2543024036E-09
 lbfgs> Final DNEB force constant     0.2543024036E-09
 lbfgs> Final DNEB force constant     0.2421927653E-09
 lbfgs> Final DNEB force constant     0.2421927653E-09
 lbfgs> Final DNEB force constant     0.2421927653E-09
 lbfgs> Final DNEB force constant     0.2421927653E-09
 lbfgs> Final DNEB force constant     0.2421927653E-09
 lbfgs> Final DNEB force constant     0.2306597765E-09
 lbfgs> Final DNEB force constant     0.2306597765E-09
 lbfgs> Final DNEB force constant     0.2306597765E-09
 lbfgs> Final DNEB force constant     0.2306597765E-09
 lbfgs> Final DNEB force constant     0.2306597765E-09
 lbfgs> Final DNEB force constant     0.2196759776E-09
 lbfgs> Final DNEB force constant     0.2196759776E-09
 lbfgs> Final DNEB force constant     0.2196759776E-09
 lbfgs> Final DNEB force constant     0.2196759776E-09
 lbfgs> Final DNEB force constant     0.2196759776E-09
 lbfgs> Final DNEB force constant     0.2092152168E-09
 lbfgs> Final DNEB force constant     0.2092152168E-09
 lbfgs> Final DNEB force constant     0.2092152168E-09
 lbfgs> Final DNEB force constant     0.2092152168E-09
 lbfgs> Final DNEB force constant     0.2092152168E-09
 lbfgs> Final DNEB force constant     0.1992525874E-09
 lbfgs> Final DNEB force constant     0.1992525874E-09
 lbfgs> Final DNEB force constant     0.1992525874E-09
 lbfgs> Final DNEB force constant     0.1992525874E-09
 lbfgs> Final DNEB force constant     0.1992525874E-09
 lbfgs> Final DNEB force constant     0.1897643690E-09
 lbfgs> Final DNEB force constant     0.1897643690E-09
 lbfgs> Final DNEB force constant     0.1897643690E-09
 lbfgs> Final DNEB force constant     0.1897643690E-09
 lbfgs> Final DNEB force constant     0.1897643690E-09
 lbfgs> Final DNEB force constant     0.1807279704E-09
 lbfgs> Final DNEB force constant     0.1807279704E-09
 lbfgs> Final DNEB force constant     0.1807279704E-09
 lbfgs> Final DNEB force constant     0.1807279704E-09
 lbfgs> Final DNEB force constant     0.1807279704E-09
 lbfgs> Final DNEB force constant     0.1721218766E-09
 lbfgs> Final DNEB force constant     0.1721218766E-09
 lbfgs> Final DNEB force constant     0.1721218766E-09
 lbfgs> Final DNEB force constant     0.1721218766E-09
 lbfgs> Final DNEB force constant     0.1721218766E-09
 lbfgs> Final DNEB force constant     0.1639255968E-09
 lbfgs> Final DNEB force constant     0.1639255968E-09
 lbfgs> Final DNEB force constant     0.1639255968E-09
 lbfgs> Final DNEB force constant     0.1639255968E-09
 lbfgs> Final DNEB force constant     0.1639255968E-09
 lbfgs> Final DNEB force constant     0.1561196160E-09
 lbfgs> Final DNEB force constant     0.1561196160E-09
 lbfgs> Final DNEB force constant     0.1561196160E-09
 lbfgs> Final DNEB force constant     0.1561196160E-09
 lbfgs> Final DNEB force constant     0.1561196160E-09
 lbfgs> Final DNEB force constant     0.1486853485E-09
 lbfgs> Final DNEB force constant     0.1486853485E-09
 lbfgs> Final DNEB force constant     0.1486853485E-09
 lbfgs> Final DNEB force constant     0.1486853485E-09
 lbfgs> Final DNEB force constant     0.1486853485E-09
 lbfgs> Final DNEB force constant     0.1416050939E-09
 lbfgs> Final DNEB force constant     0.1416050939E-09
 lbfgs> Final DNEB force constant     0.1416050939E-09
 lbfgs> Final DNEB force constant     0.1416050939E-09
 lbfgs> Final DNEB force constant     0.1416050939E-09
 lbfgs> Final DNEB force constant     0.1348619941E-09
 lbfgs> Final DNEB force constant     0.1348619941E-09
 lbfgs> Final DNEB force constant     0.1348619941E-09
 lbfgs> Final DNEB force constant     0.1348619941E-09
 lbfgs> Final DNEB force constant     0.1348619941E-09
 lbfgs> Final DNEB force constant     0.1284399944E-09
 lbfgs> Final DNEB force constant     0.1284399944E-09
 lbfgs> Final DNEB force constant     0.1284399944E-09
 lbfgs> Final DNEB force constant     0.1284399944E-09
 lbfgs> Final DNEB force constant     0.1284399944E-09
 lbfgs> Final DNEB force constant     0.1223238042E-09
 lbfgs> Final DNEB force constant     0.1223238042E-09
 lbfgs> Final DNEB force constant     0.1223238042E-09
 lbfgs> Final DNEB force constant     0.1223238042E-09
 lbfgs> Final DNEB force constant     0.1223238042E-09
 lbfgs> Final DNEB force constant     0.1164988612E-09
 lbfgs> Final DNEB force constant     0.1164988612E-09
 lbfgs> Final DNEB force constant     0.1164988612E-09
 lbfgs> Final DNEB force constant     0.1164988612E-09
 lbfgs> Final DNEB force constant     0.1164988612E-09
 lbfgs> Final DNEB force constant     0.1109512963E-09
 lbfgs> Final DNEB force constant     0.1109512963E-09
 lbfgs> Final DNEB force constant     0.1109512963E-09
 lbfgs> Final DNEB force constant     0.1109512963E-09
 lbfgs> Final DNEB force constant     0.1109512963E-09
 lbfgs> Final DNEB force constant     0.1056679013E-09
 lbfgs> Final DNEB force constant     0.1056679013E-09
 lbfgs> Final DNEB force constant     0.1056679013E-09
 lbfgs> Final DNEB force constant     0.1056679013E-09
 lbfgs> Final DNEB force constant     0.1056679013E-09
 lbfgs> Final DNEB force constant     0.1006360965E-09
 lbfgs> Final DNEB force constant     0.1006360965E-09
 lbfgs> Final DNEB force constant     0.1006360965E-09
 lbfgs> Final DNEB force constant     0.1006360965E-09
 lbfgs> Final DNEB force constant     0.1006360965E-09
 lbfgs> Final DNEB force constant     0.9584390139E-10
 lbfgs> Final DNEB force constant     0.9584390139E-10
 lbfgs> Final DNEB force constant     0.9584390139E-10
 lbfgs> Final DNEB force constant     0.9584390139E-10
 lbfgs> Final DNEB force constant     0.9584390139E-10
 lbfgs> Final DNEB force constant     0.9127990608E-10
 lbfgs> Final DNEB force constant     0.9127990608E-10
 lbfgs> Final DNEB force constant     0.9127990608E-10
 lbfgs> Final DNEB force constant     0.9127990608E-10
 lbfgs> Final DNEB force constant     0.9127990608E-10
 lbfgs> Final DNEB force constant     0.8693324389E-10
 lbfgs> Final DNEB force constant     0.8693324389E-10
 lbfgs> Final DNEB force constant     0.8693324389E-10
 lbfgs> Final DNEB force constant     0.8693324389E-10
 lbfgs> Final DNEB force constant     0.8693324389E-10
 lbfgs> Final DNEB force constant     0.8279356561E-10
 lbfgs> Final DNEB force constant     0.8279356561E-10
 lbfgs> Final DNEB force constant     0.8279356561E-10
 lbfgs> Final DNEB force constant     0.8279356561E-10
 lbfgs> Final DNEB force constant     0.8279356561E-10
 lbfgs> Final DNEB force constant     0.7885101486E-10
 lbfgs> Final DNEB force constant     0.7885101486E-10
 lbfgs> Final DNEB force constant     0.7885101486E-10
 lbfgs> Final DNEB force constant     0.7885101486E-10
 lbfgs> Final DNEB force constant     0.7885101486E-10
 lbfgs> Final DNEB force constant     0.7509620463E-10
 lbfgs> Final DNEB force constant     0.7509620463E-10
 lbfgs> Final DNEB force constant     0.7509620463E-10
 lbfgs> Final DNEB force constant     0.7509620463E-10
 lbfgs> Final DNEB force constant     0.7509620463E-10
 lbfgs> Final DNEB force constant     0.7152019489E-10
 lbfgs> Final DNEB force constant     0.7152019489E-10
 lbfgs> Final DNEB force constant     0.7152019489E-10
 lbfgs> Final DNEB force constant     0.7152019489E-10
 lbfgs> Final DNEB force constant     0.7152019489E-10
 lbfgs> Final DNEB force constant     0.6811447132E-10
 lbfgs> Final DNEB force constant     0.6811447132E-10
 lbfgs> Final DNEB force constant     0.6811447132E-10
 lbfgs> Final DNEB force constant     0.6811447132E-10
 lbfgs> Final DNEB force constant     0.6811447132E-10
 lbfgs> Final DNEB force constant     0.6487092507E-10
 lbfgs> Final DNEB force constant     0.6487092507E-10
 lbfgs> Final DNEB force constant     0.6487092507E-10
 lbfgs> Final DNEB force constant     0.6487092507E-10
 lbfgs> Final DNEB force constant     0.6487092507E-10
 lbfgs> Final DNEB force constant     0.6178183340E-10
 lbfgs> Final DNEB force constant     0.6178183340E-10
 lbfgs> Final DNEB force constant     0.6178183340E-10
 lbfgs> Final DNEB force constant     0.6178183340E-10
 lbfgs> Final DNEB force constant     0.6178183340E-10
 lbfgs> Final DNEB force constant     0.5883984133E-10
 lbfgs> Final DNEB force constant     0.5883984133E-10
 lbfgs> Final DNEB force constant     0.5883984133E-10
 lbfgs> Final DNEB force constant     0.5883984133E-10
 lbfgs> Final DNEB force constant     0.5883984133E-10
 lbfgs> Final DNEB force constant     0.5603794413E-10
 lbfgs> Final DNEB force constant     0.5603794413E-10
 lbfgs> Final DNEB force constant     0.5603794413E-10
 lbfgs> Final DNEB force constant     0.5603794413E-10
 lbfgs> Final DNEB force constant     0.5603794413E-10
 lbfgs> Final DNEB force constant     0.5336947060E-10
 lbfgs> Final DNEB force constant     0.5336947060E-10
 lbfgs> Final DNEB force constant     0.5336947060E-10
 lbfgs> Final DNEB force constant     0.5336947060E-10
 lbfgs> Final DNEB force constant     0.5336947060E-10
 lbfgs> Final DNEB force constant     0.5082806723E-10
 lbfgs> Final DNEB force constant     0.5082806723E-10
 lbfgs> Final DNEB force constant     0.5082806723E-10
 lbfgs> Final DNEB force constant     0.5082806723E-10
 lbfgs> Final DNEB force constant     0.5082806723E-10
 lbfgs> Final DNEB force constant     0.4840768308E-10
 lbfgs> Final DNEB force constant     0.4840768308E-10
 lbfgs> Final DNEB force constant     0.4840768308E-10
 lbfgs> Final DNEB force constant     0.4840768308E-10
 lbfgs> Final DNEB force constant     0.4840768308E-10
 lbfgs> Final DNEB force constant     0.4610255531E-10
 lbfgs> Final DNEB force constant     0.4610255531E-10
 lbfgs> Final DNEB force constant     0.4610255531E-10
 lbfgs> Final DNEB force constant     0.4610255531E-10
 lbfgs> Final DNEB force constant     0.4610255531E-10
 lbfgs> Final DNEB force constant     0.4390719554E-10
 lbfgs> Final DNEB force constant     0.4390719554E-10
 lbfgs> Final DNEB force constant     0.4390719554E-10
 lbfgs> Final DNEB force constant     0.4390719554E-10
 lbfgs> Final DNEB force constant     0.4390719554E-10
 lbfgs> Final DNEB force constant     0.4181637670E-10
 lbfgs> Final DNEB force constant     0.4181637670E-10
 lbfgs> Final DNEB force constant     0.4181637670E-10
 lbfgs> Final DNEB force constant     0.4181637670E-10
 lbfgs> Final DNEB force constant     0.4181637670E-10
 lbfgs> Final DNEB force constant     0.3982512067E-10
 lbfgs> Final DNEB force constant     0.3982512067E-10
 lbfgs> Final DNEB force constant     0.3982512067E-10
 lbfgs> Final DNEB force constant     0.3982512067E-10
 lbfgs> Final DNEB force constant     0.3982512067E-10
 lbfgs> Final DNEB force constant     0.3792868635E-10
 lbfgs> Final DNEB force constant     0.3792868635E-10
 lbfgs> Final DNEB force constant     0.3792868635E-10
 lbfgs> Final DNEB force constant     0.3792868635E-10
 lbfgs> Final DNEB force constant     0.3792868635E-10
 lbfgs> Final DNEB force constant     0.3612255843E-10
 lbfgs> Final DNEB force constant     0.3612255843E-10
 lbfgs> Final DNEB force constant     0.3612255843E-10
 lbfgs> Final DNEB force constant     0.3612255843E-10
 lbfgs> Final DNEB force constant     0.3612255843E-10
 lbfgs> Final DNEB force constant     0.3440243660E-10
 lbfgs> Final DNEB force constant     0.3440243660E-10
 lbfgs> Final DNEB force constant     0.3440243660E-10
 lbfgs> Final DNEB force constant     0.3440243660E-10
 lbfgs> Final DNEB force constant     0.3440243660E-10
 lbfgs> Final DNEB force constant     0.3276422533E-10
 lbfgs> Final DNEB force constant     0.3276422533E-10
 lbfgs> Final DNEB force constant     0.3276422533E-10
 lbfgs> Final DNEB force constant     0.3276422533E-10
 lbfgs> Final DNEB force constant     0.3276422533E-10
 lbfgs> Final DNEB force constant     0.3120402413E-10
 lbfgs> Final DNEB force constant     0.3120402413E-10
 lbfgs> Final DNEB force constant     0.3120402413E-10
 lbfgs> Final DNEB force constant     0.3120402413E-10
 lbfgs> Final DNEB force constant     0.3120402413E-10
 lbfgs> Final DNEB force constant     0.2971811822E-10
 lbfgs> Final DNEB force constant     0.2971811822E-10
 lbfgs> Final DNEB force constant     0.2971811822E-10
 lbfgs> Final DNEB force constant     0.2971811822E-10
 lbfgs> Final DNEB force constant     0.2971811822E-10
 lbfgs> Final DNEB force constant     0.2830296973E-10
 lbfgs> Final DNEB force constant     0.2830296973E-10
 lbfgs> Final DNEB force constant     0.2830296973E-10
 lbfgs> Final DNEB force constant     0.2830296973E-10
 lbfgs> Final DNEB force constant     0.2830296973E-10
 lbfgs> Final DNEB force constant     0.2695520927E-10
 lbfgs> Final DNEB force constant     0.2695520927E-10
 lbfgs> Final DNEB force constant     0.2695520927E-10
 lbfgs> Final DNEB force constant     0.2695520927E-10
 lbfgs> Final DNEB force constant     0.2695520927E-10
 lbfgs> Final DNEB force constant     0.2567162787E-10
 lbfgs> Final DNEB force constant     0.2567162787E-10
 lbfgs> Final DNEB force constant     0.2567162787E-10
 lbfgs> Final DNEB force constant     0.2567162787E-10
 lbfgs> Final DNEB force constant     0.2567162787E-10
 lbfgs> Final DNEB force constant     0.2444916940E-10
 lbfgs> Final DNEB force constant     0.2444916940E-10
 lbfgs> Final DNEB force constant     0.2444916940E-10
 lbfgs> Final DNEB force constant     0.2444916940E-10
 lbfgs> Final DNEB force constant     0.2444916940E-10
 lbfgs> Final DNEB force constant     0.2328492324E-10
 lbfgs> Final DNEB force constant     0.2328492324E-10
 lbfgs> Final DNEB force constant     0.2328492324E-10
 lbfgs> Final DNEB force constant     0.2328492324E-10
 lbfgs> Final DNEB force constant     0.2328492324E-10
 lbfgs> Final DNEB force constant     0.2217611737E-10
 lbfgs> Final DNEB force constant     0.2217611737E-10
 lbfgs> Final DNEB force constant     0.2217611737E-10
 lbfgs> Final DNEB force constant     0.2217611737E-10
 lbfgs> Final DNEB force constant     0.2217611737E-10
 lbfgs> Final DNEB force constant     0.2112011178E-10
 lbfgs> Final DNEB force constant     0.2112011178E-10
 lbfgs> Final DNEB force constant     0.2112011178E-10
 lbfgs> Final DNEB force constant     0.2112011178E-10
 lbfgs> Final DNEB force constant     0.2112011178E-10
 lbfgs> Final DNEB force constant     0.2011439217E-10
 lbfgs> Final DNEB force constant     0.2011439217E-10
 lbfgs> Final DNEB force constant     0.2011439217E-10
 lbfgs> Final DNEB force constant     0.2011439217E-10
 lbfgs> Final DNEB force constant     0.2011439217E-10
 lbfgs> Final DNEB force constant     0.1915656398E-10
 lbfgs> Final DNEB force constant     0.1915656398E-10
 lbfgs> Final DNEB force constant     0.1915656398E-10
 lbfgs> Final DNEB force constant     0.1915656398E-10
 lbfgs> Final DNEB force constant     0.1915656398E-10
 lbfgs> Final DNEB force constant     0.1824434664E-10
 lbfgs> Final DNEB force constant     0.1824434664E-10
 lbfgs> Final DNEB force constant     0.1824434664E-10
 lbfgs> Final DNEB force constant     0.1824434664E-10
 lbfgs> Final DNEB force constant     0.1824434664E-10
 lbfgs> Final DNEB force constant     0.1737556823E-10
 lbfgs> Final DNEB force constant     0.1737556823E-10
 lbfgs> Final DNEB force constant     0.1737556823E-10
 lbfgs> Final DNEB force constant     0.1737556823E-10
 lbfgs> Final DNEB force constant     0.1737556823E-10
 lbfgs> Final DNEB force constant     0.1654816022E-10
 lbfgs> Final DNEB force constant     0.1654816022E-10
 lbfgs> Final DNEB force constant     0.1654816022E-10
 lbfgs> Final DNEB force constant     0.1654816022E-10
 lbfgs> Final DNEB force constant     0.1654816022E-10
 lbfgs> Final DNEB force constant     0.1576015259E-10
 lbfgs> Final DNEB force constant     0.1576015259E-10
 lbfgs> Final DNEB force constant     0.1576015259E-10
 lbfgs> Final DNEB force constant     0.1576015259E-10
 lbfgs> Final DNEB force constant     0.1576015259E-10
 lbfgs> Final DNEB force constant     0.1500966913E-10
 lbfgs> Final DNEB force constant     0.1500966913E-10
 lbfgs> Final DNEB force constant     0.1500966913E-10
 lbfgs> Final DNEB force constant     0.1500966913E-10
 lbfgs> Final DNEB force constant     0.1500966913E-10
 lbfgs> Final DNEB force constant     0.1429492298E-10
 lbfgs> Final DNEB force constant     0.1429492298E-10
 lbfgs> Final DNEB force constant     0.1429492298E-10
 lbfgs> Final DNEB force constant     0.1429492298E-10
 lbfgs> Final DNEB force constant     0.1429492298E-10
 lbfgs> Final DNEB force constant     0.1361421237E-10
 lbfgs> Final DNEB force constant     0.1361421237E-10
 lbfgs> Final DNEB force constant     0.1361421237E-10
 lbfgs> Final DNEB force constant     0.1361421237E-10
 lbfgs> Final DNEB force constant     0.1361421237E-10
 lbfgs> Final DNEB force constant     0.1296591654E-10
 lbfgs> Final DNEB force constant     0.1296591654E-10
 lbfgs> Final DNEB force constant     0.1296591654E-10
 lbfgs> Final DNEB force constant     0.1296591654E-10
 lbfgs> Final DNEB force constant     0.1296591654E-10
 lbfgs> Final DNEB force constant     0.1234849194E-10
 lbfgs> Final DNEB force constant     0.1234849194E-10
 lbfgs> Final DNEB force constant     0.1234849194E-10
 lbfgs> Final DNEB force constant     0.1234849194E-10
 lbfgs> Final DNEB force constant     0.1234849194E-10
 lbfgs> Final DNEB force constant     0.1176046852E-10
 lbfgs> Final DNEB force constant     0.1176046852E-10
 lbfgs> Final DNEB force constant     0.1176046852E-10
 lbfgs> Final DNEB force constant     0.1176046852E-10
 lbfgs> Final DNEB force constant     0.1176046852E-10
 lbfgs> Final DNEB force constant     0.1120044621E-10
 lbfgs> Final DNEB force constant     0.1120044621E-10
 lbfgs> Final DNEB force constant     0.1120044621E-10
 lbfgs> Final DNEB force constant     0.1120044621E-10
 lbfgs> Final DNEB force constant     0.1120044621E-10
 lbfgs> Final DNEB force constant     0.1066709163E-10
 lbfgs> Final DNEB force constant     0.1066709163E-10
 lbfgs> Final DNEB force constant     0.1066709163E-10
 lbfgs> Final DNEB force constant     0.1066709163E-10
 lbfgs> Final DNEB force constant     0.1066709163E-10
 lbfgs> Final DNEB force constant     0.1015913488E-10
 lbfgs> Final DNEB force constant     0.1015913488E-10
 lbfgs> Final DNEB force constant     0.1015913488E-10
 lbfgs> Final DNEB force constant     0.1015913488E-10
 lbfgs> Final DNEB force constant     0.1015913488E-10
 lbfgs> Final DNEB force constant     0.9675366553E-11
 lbfgs> Final DNEB force constant     0.9675366553E-11
 lbfgs> Final DNEB force constant     0.9675366553E-11
 lbfgs> Final DNEB force constant     0.9675366553E-11
 lbfgs> Final DNEB force constant     0.9675366553E-11
 lbfgs> Final DNEB force constant     0.9214634813E-11
 lbfgs> Final DNEB force constant     0.9214634813E-11
 lbfgs> Final DNEB force constant     0.9214634813E-11
 lbfgs> Final DNEB force constant     0.9214634813E-11
 lbfgs> Final DNEB force constant     0.9214634813E-11
 lbfgs> Final DNEB force constant     0.8775842679E-11
 lbfgs> Final DNEB force constant     0.8775842679E-11
 lbfgs> Final DNEB force constant     0.8775842679E-11
 lbfgs> Final DNEB force constant     0.8775842679E-11
 lbfgs> Final DNEB force constant     0.8775842679E-11
 lbfgs> Final DNEB force constant     0.8357945408E-11
 lbfgs> Final DNEB force constant     0.8357945408E-11
 lbfgs> Final DNEB force constant     0.8357945408E-11
 lbfgs> Final DNEB force constant     0.8357945408E-11
 lbfgs> Final DNEB force constant     0.8357945408E-11
 lbfgs> Final DNEB force constant     0.7959948008E-11
 lbfgs> Final DNEB force constant     0.7959948008E-11
 lbfgs> Final DNEB force constant     0.7959948008E-11
 lbfgs> Final DNEB force constant     0.7959948008E-11
 lbfgs> Final DNEB force constant     0.7959948008E-11
 lbfgs> Final DNEB force constant     0.7580902865E-11
 lbfgs> Final DNEB force constant     0.7580902865E-11
 lbfgs> Final DNEB force constant     0.7580902865E-11
 lbfgs> Final DNEB force constant     0.7580902865E-11
 lbfgs> Final DNEB force constant     0.7580902865E-11
 lbfgs> Final DNEB force constant     0.7219907490E-11
 lbfgs> Final DNEB force constant     0.7219907490E-11
 lbfgs> Final DNEB force constant     0.7219907490E-11
 lbfgs> Final DNEB force constant     0.7219907490E-11
 lbfgs> Final DNEB force constant     0.7219907490E-11
 lbfgs> Final DNEB force constant     0.6876102372E-11
 lbfgs> Final DNEB force constant     0.6876102372E-11
 lbfgs> Final DNEB force constant     0.6876102372E-11
 lbfgs> Final DNEB force constant     0.6876102372E-11
 lbfgs> Final DNEB force constant     0.6876102372E-11
 lbfgs> Final DNEB force constant     0.6548668925E-11
 lbfgs> Final DNEB force constant     0.6548668925E-11
 lbfgs> Final DNEB force constant     0.6548668925E-11
 lbfgs> Final DNEB force constant     0.6548668925E-11
 lbfgs> Final DNEB force constant     0.6548668925E-11
 lbfgs> Final DNEB force constant     0.6236827548E-11
 lbfgs> Final DNEB force constant     0.6236827548E-11
 lbfgs> Final DNEB force constant     0.6236827548E-11
 lbfgs> Final DNEB force constant     0.6236827548E-11
 lbfgs> Final DNEB force constant     0.6236827548E-11
 lbfgs> Final DNEB force constant     0.5939835760E-11
 lbfgs> Final DNEB force constant     0.5939835760E-11
 lbfgs> Final DNEB force constant     0.5939835760E-11
 lbfgs> Final DNEB force constant     0.5939835760E-11
 lbfgs> Final DNEB force constant     0.5939835760E-11
 lbfgs> Final DNEB force constant     0.5656986438E-11
 lbfgs> Final DNEB force constant     0.5656986438E-11
 lbfgs> Final DNEB force constant     0.5656986438E-11
 lbfgs> Final DNEB force constant     0.5656986438E-11
 lbfgs> Final DNEB force constant     0.5656986438E-11
 lbfgs> Final DNEB force constant     0.5387606132E-11
 lbfgs> Final DNEB force constant     0.5387606132E-11
 lbfgs> Final DNEB force constant     0.5387606132E-11
 lbfgs> Final DNEB force constant     0.5387606132E-11
 lbfgs> Final DNEB force constant     0.5387606132E-11
 lbfgs> Final DNEB force constant     0.5131053459E-11
 lbfgs> Final DNEB force constant     0.5131053459E-11
 lbfgs> Final DNEB force constant     0.5131053459E-11
 lbfgs> Final DNEB force constant     0.5131053459E-11
 lbfgs> Final DNEB force constant     0.5131053459E-11
 lbfgs> Final DNEB force constant     0.4886717580E-11
 lbfgs> Final DNEB force constant     0.4886717580E-11
 lbfgs> Final DNEB force constant     0.4886717580E-11
 lbfgs> Final DNEB force constant     0.4886717580E-11
 lbfgs> Final DNEB force constant     0.4886717580E-11
 lbfgs> Final DNEB force constant     0.4654016742E-11
 lbfgs> Final DNEB force constant     0.4654016742E-11
 lbfgs> Final DNEB force constant     0.4654016742E-11
 lbfgs> Final DNEB force constant     0.4654016742E-11
 lbfgs> Final DNEB force constant     0.4654016742E-11
 lbfgs> Final DNEB force constant     0.4432396898E-11
 lbfgs> Final DNEB force constant     0.4432396898E-11
 lbfgs> Final DNEB force constant     0.4432396898E-11
 lbfgs> Final DNEB force constant     0.4432396898E-11
 lbfgs> Final DNEB force constant     0.4432396898E-11
 lbfgs> Final DNEB force constant     0.4221330379E-11
 lbfgs> Final DNEB force constant     0.4221330379E-11
 lbfgs> Final DNEB force constant     0.4221330379E-11
 lbfgs> Final DNEB force constant     0.4221330379E-11
 lbfgs> Final DNEB force constant     0.4221330379E-11
 lbfgs> Final DNEB force constant     0.4020314646E-11
 lbfgs> Final DNEB force constant     0.4020314646E-11
 lbfgs> Final DNEB force constant     0.4020314646E-11
 lbfgs> Final DNEB force constant     0.4020314646E-11
 lbfgs> Final DNEB force constant     0.4020314646E-11
 lbfgs> Final DNEB force constant     0.3828871092E-11
 lbfgs> Final DNEB force constant     0.3828871092E-11
 lbfgs> Final DNEB force constant     0.3828871092E-11
 lbfgs> Final DNEB force constant     0.3828871092E-11
 lbfgs> Final DNEB force constant     0.3828871092E-11
 lbfgs> Final DNEB force constant     0.3646543897E-11
 lbfgs> Final DNEB force constant     0.3646543897E-11
 lbfgs> Final DNEB force constant     0.3646543897E-11
 lbfgs> Final DNEB force constant     0.3646543897E-11
 lbfgs> Final DNEB force constant     0.3646543897E-11
 lbfgs> Final DNEB force constant     0.3472898949E-11
 lbfgs> Final DNEB force constant     0.3472898949E-11
 lbfgs> Final DNEB force constant     0.3472898949E-11
 lbfgs> Final DNEB force constant     0.3472898949E-11
 lbfgs> Final DNEB force constant     0.3472898949E-11
 lbfgs> Final DNEB force constant     0.3307522809E-11
 lbfgs> Final DNEB force constant     0.3307522809E-11
 lbfgs> Final DNEB force constant     0.3307522809E-11
 lbfgs> Final DNEB force constant     0.3307522809E-11
 lbfgs> Final DNEB force constant     0.3307522809E-11
 lbfgs> Final DNEB force constant     0.3150021723E-11
 lbfgs> Final DNEB force constant     0.3150021723E-11
 lbfgs> Final DNEB force constant     0.3150021723E-11
 lbfgs> Final DNEB force constant     0.3150021723E-11
 lbfgs> Final DNEB force constant     0.3150021723E-11
 lbfgs> Final DNEB force constant     0.3000020688E-11
 lbfgs> Final DNEB force constant     0.3000020688E-11
 lbfgs> Final DNEB force constant     0.3000020688E-11
 lbfgs> Final DNEB force constant     0.3000020688E-11
 lbfgs> Final DNEB force constant     0.3000020688E-11
 lbfgs> Final DNEB force constant     0.2857162560E-11
 lbfgs> Final DNEB force constant     0.2857162560E-11
 lbfgs> Final DNEB force constant     0.2857162560E-11
 lbfgs> Final DNEB force constant     0.2857162560E-11
 lbfgs> Final DNEB force constant     0.2857162560E-11
 lbfgs> Final DNEB force constant     0.2721107200E-11
 lbfgs> Final DNEB force constant     0.2721107200E-11
 lbfgs> Final DNEB force constant     0.2721107200E-11
 lbfgs> Final DNEB force constant     0.2721107200E-11
 lbfgs> Final DNEB force constant     0.2721107200E-11
 lbfgs> Final DNEB force constant     0.2591530667E-11
 lbfgs> Final DNEB force constant     0.2591530667E-11
 lbfgs> Final DNEB force constant     0.2591530667E-11
 lbfgs> Final DNEB force constant     0.2591530667E-11
 lbfgs> Final DNEB force constant     0.2591530667E-11
 lbfgs> Final DNEB force constant     0.2468124445E-11
 lbfgs> Final DNEB force constant     0.2468124445E-11
 lbfgs> Final DNEB force constant     0.2468124445E-11
 lbfgs> Final DNEB force constant     0.2468124445E-11
 lbfgs> Final DNEB force constant     0.2468124445E-11
 lbfgs> Final DNEB force constant     0.2350594709E-11
 lbfgs> Final DNEB force constant     0.2350594709E-11
 lbfgs> Final DNEB force constant     0.2350594709E-11
 lbfgs> Final DNEB force constant     0.2350594709E-11
 lbfgs> Final DNEB force constant     0.2350594709E-11
 lbfgs> Final DNEB force constant     0.2238661628E-11
 lbfgs> Final DNEB force constant     0.2238661628E-11
 lbfgs> Final DNEB force constant     0.2238661628E-11
 lbfgs> Final DNEB force constant     0.2238661628E-11
 lbfgs> Final DNEB force constant     0.2238661628E-11
 lbfgs> Final DNEB force constant     0.2132058693E-11
 lbfgs> Final DNEB force constant     0.2132058693E-11
 lbfgs> Final DNEB force constant     0.2132058693E-11
 lbfgs> Final DNEB force constant     0.2132058693E-11
 lbfgs> Final DNEB force constant     0.2132058693E-11
 lbfgs> Final DNEB force constant     0.2030532089E-11
 lbfgs> Final DNEB force constant     0.2030532089E-11
 lbfgs> Final DNEB force constant     0.2030532089E-11
 lbfgs> Final DNEB force constant     0.2030532089E-11
 lbfgs> Final DNEB force constant     0.2030532089E-11
 lbfgs> Final DNEB force constant     0.1933840085E-11
 lbfgs> Final DNEB force constant     0.1933840085E-11
 lbfgs> Final DNEB force constant     0.1933840085E-11
 lbfgs> Final DNEB force constant     0.1933840085E-11
 lbfgs> Final DNEB force constant     0.1933840085E-11
 lbfgs> Final DNEB force constant     0.1841752462E-11
 lbfgs> Final DNEB force constant     0.1841752462E-11
 lbfgs> Final DNEB force constant     0.1841752462E-11
 lbfgs> Final DNEB force constant     0.1841752462E-11
 lbfgs> Final DNEB force constant     0.1841752462E-11
 lbfgs> Final DNEB force constant     0.1754049963E-11
 lbfgs> Final DNEB force constant     0.1754049963E-11
 lbfgs> Final DNEB force constant     0.1754049963E-11
 lbfgs> Final DNEB force constant     0.1754049963E-11
 lbfgs> Final DNEB force constant     0.1754049963E-11
 lbfgs> Final DNEB force constant     0.1670523775E-11
 lbfgs> Final DNEB force constant     0.1670523775E-11
 lbfgs> Final DNEB force constant     0.1670523775E-11
 lbfgs> Final DNEB force constant     0.1670523775E-11
 lbfgs> Final DNEB force constant     0.1670523775E-11
 lbfgs> Final DNEB force constant     0.1590975023E-11
 lbfgs> Final DNEB force constant     0.1590975023E-11
 lbfgs> Final DNEB force constant     0.1590975023E-11
 lbfgs> Final DNEB force constant     0.1590975023E-11
 lbfgs> Final DNEB force constant     0.1590975023E-11
 lbfgs> Final DNEB force constant     0.1515214308E-11
 lbfgs> Final DNEB force constant     0.1515214308E-11
 lbfgs> Final DNEB force constant     0.1515214308E-11
 lbfgs> Final DNEB force constant     0.1515214308E-11
 lbfgs> Final DNEB force constant     0.1515214308E-11
 lbfgs> Final DNEB force constant     0.1443061246E-11
 lbfgs> Final DNEB force constant     0.1443061246E-11
 lbfgs> Final DNEB force constant     0.1443061246E-11
 lbfgs> Final DNEB force constant     0.1443061246E-11
 lbfgs> Final DNEB force constant     0.1443061246E-11
 lbfgs> Final DNEB force constant     0.1374344044E-11
 lbfgs> Final DNEB force constant     0.1374344044E-11
 lbfgs> Final DNEB force constant     0.1374344044E-11
 lbfgs> Final DNEB force constant     0.1374344044E-11
 lbfgs> Final DNEB force constant     0.1374344044E-11
 lbfgs> Final DNEB force constant     0.1308899089E-11
 lbfgs> Final DNEB force constant     0.1308899089E-11
 lbfgs> Final DNEB force constant     0.1308899089E-11
 lbfgs> Final DNEB force constant     0.1308899089E-11
 lbfgs> Final DNEB force constant     0.1308899089E-11
 lbfgs> Final DNEB force constant     0.1246570561E-11
 lbfgs> Final DNEB force constant     0.1246570561E-11
 lbfgs> Final DNEB force constant     0.1246570561E-11
 lbfgs> Final DNEB force constant     0.1246570561E-11
 lbfgs> Final DNEB force constant     0.1246570561E-11
 lbfgs> Final DNEB force constant     0.1187210058E-11
 lbfgs> Final DNEB force constant     0.1187210058E-11
 lbfgs> Final DNEB force constant     0.1187210058E-11
 lbfgs> Final DNEB force constant     0.1187210058E-11
 lbfgs> Final DNEB force constant     0.1187210058E-11
 lbfgs> Final DNEB force constant     0.1130676246E-11
 lbfgs> Final DNEB force constant     0.1130676246E-11
 lbfgs> Final DNEB force constant     0.1130676246E-11
 lbfgs> Final DNEB force constant     0.1130676246E-11
 lbfgs> Final DNEB force constant     0.1130676246E-11
 lbfgs> Final DNEB force constant     0.1076834520E-11
 lbfgs> Final DNEB force constant     0.1076834520E-11
 lbfgs> Final DNEB force constant     0.1076834520E-11
 lbfgs> Final DNEB force constant     0.1076834520E-11
 lbfgs> Final DNEB force constant     0.1076834520E-11
 lbfgs> Final DNEB force constant     0.1025556686E-11
 lbfgs> Final DNEB force constant     0.1025556686E-11
 lbfgs> Final DNEB force constant     0.1025556686E-11
 lbfgs> Final DNEB force constant     0.1025556686E-11
 lbfgs> Final DNEB force constant     0.1025556686E-11
 lbfgs> Final DNEB force constant     0.9767206530E-12
 lbfgs> Final DNEB force constant     0.9767206530E-12
 lbfgs> Final DNEB force constant     0.9767206530E-12
 lbfgs> Final DNEB force constant     0.9767206530E-12
 lbfgs> Final DNEB force constant     0.9767206530E-12
 lbfgs> Final DNEB force constant     0.9302101457E-12
 lbfgs> Final DNEB force constant     0.9302101457E-12
 lbfgs> Final DNEB force constant     0.9302101457E-12
 lbfgs> Final DNEB force constant     0.9302101457E-12
 lbfgs> Final DNEB force constant     0.9302101457E-12
 lbfgs> Final DNEB force constant     0.8859144244E-12
 lbfgs> Final DNEB force constant     0.8859144244E-12
 lbfgs> Final DNEB force constant     0.8859144244E-12
 lbfgs> Final DNEB force constant     0.8859144244E-12
 lbfgs> Final DNEB force constant     0.8859144244E-12
 lbfgs> Final DNEB force constant     0.8437280233E-12
 lbfgs> Final DNEB force constant     0.8437280233E-12
 lbfgs> Final DNEB force constant     0.8437280233E-12
 lbfgs> Final DNEB force constant     0.8437280233E-12
 lbfgs> Final DNEB force constant     0.8437280233E-12
 lbfgs> Final DNEB force constant     0.8035504984E-12
 lbfgs> Final DNEB force constant     0.8035504984E-12
 lbfgs> Final DNEB force constant     0.8035504984E-12
 lbfgs> Final DNEB force constant     0.8035504984E-12
 lbfgs> Final DNEB force constant     0.8035504984E-12
 lbfgs> Final DNEB force constant     0.7652861889E-12
 lbfgs> Final DNEB force constant     0.7652861889E-12
 lbfgs> Final DNEB force constant     0.7652861889E-12
 lbfgs> Final DNEB force constant     0.7652861889E-12
 lbfgs> Final DNEB force constant     0.7652861889E-12
 lbfgs> Final DNEB force constant     0.7288439894E-12
 lbfgs> Final DNEB force constant     0.7288439894E-12
 lbfgs> Final DNEB force constant     0.7288439894E-12
 lbfgs> Final DNEB force constant     0.7288439894E-12
 lbfgs> Final DNEB force constant     0.7288439894E-12
 lbfgs> Final DNEB force constant     0.6941371328E-12
 lbfgs> Final DNEB force constant     0.6941371328E-12
 lbfgs> Final DNEB force constant     0.6941371328E-12
 lbfgs> Final DNEB force constant     0.6941371328E-12
 lbfgs> Final DNEB force constant     0.6941371328E-12
 lbfgs> Final DNEB force constant     0.6610829836E-12
 lbfgs> Final DNEB force constant     0.6610829836E-12
 lbfgs> Final DNEB force constant     0.6610829836E-12
 lbfgs> Final DNEB force constant     0.6610829836E-12
 lbfgs> Final DNEB force constant     0.6610829836E-12
 lbfgs> Final DNEB force constant     0.6296028415E-12
 lbfgs> Final DNEB force constant     0.6296028415E-12
 lbfgs> Final DNEB force constant     0.6296028415E-12
 lbfgs> Final DNEB force constant     0.6296028415E-12
 lbfgs> Final DNEB force constant     0.6296028415E-12
 lbfgs> Final DNEB force constant     0.5996217539E-12
 lbfgs> Final DNEB force constant     0.5996217539E-12
 lbfgs> Final DNEB force constant     0.5996217539E-12
 lbfgs> Final DNEB force constant     0.5996217539E-12
 lbfgs> Final DNEB force constant     0.5996217539E-12
 lbfgs> Final DNEB force constant     0.5710683370E-12
 lbfgs> Final DNEB force constant     0.5710683370E-12
 lbfgs> Final DNEB force constant     0.5710683370E-12
 lbfgs> Final DNEB force constant     0.5710683370E-12
 lbfgs> Final DNEB force constant     0.5710683370E-12
 lbfgs> Final DNEB force constant     0.5438746067E-12
 Double-ended search iterations= 3851 RMS= 0.0000 Dev= 4.26% S= 13.81 time= 24.89
 Following    1 images are candidates for TS:    6  
 Converged to TS (number of iterations):         47
 DNEB run yielded 1 true transition state(s) time=   1.09

 >>>>>  Path run for ts 5 ...
 Plus  side of path:                     514 steps. Energy=    -297.0152333       time=       0.40
 Minus side of path:                     525 steps. Energy=    -292.2749225       time=       0.42

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -297.0152333  8.8767         -288.1385220  4.1364         -292.2749225   6.230   5.238  11.138   7.093
        *NEW* (Placed in 9)                                     *NEW* (Placed in 10)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 4 >>>>>>>>>>>>>>>>>>>>> 10 minima and 5 ts are known >>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      7 steps with      4 missing connections, weight=     321.41    
 decide> The unconnected minima in the chain and their distances are:
     5        2.05     8     7        2.65     3     4        6.16     9     9        3.92     1 
 

 tryconnect> 70-iteration DNEB run for minima 5_F and 8_U using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 0.0274 Dev= 0.02% S= 2.05 time= 0.08
 Following    1 images are candidates for TS:    1  
 Converged to TS (number of iterations):         11
 DNEB run yielded 1 true transition state(s) time=   0.46

 >>>>>  Path run for ts 6 ...
 Plus  side of path:                     457 steps. Energy=    -296.9055963       time=       0.35
 Minus side of path:                     447 steps. Energy=    -296.8875417       time=       0.34

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -296.9055963 0.66363E-01     -296.8392334 0.48308E-01     -296.8875417   2.095   2.045  12.696   6.223
        Known (#5)                                              Known (#8)
 Unconnected minimum 8 found its way to F set.

 tryconnect> 70-iteration DNEB run for minima 3_U and 7_F using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 0.3167 Dev= 0.87% S= 3.20 time= 0.08
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         54
 DNEB run yielded 1 true transition state(s) time=   0.91

 >>>>>  Path run for ts 7 ...
 Plus  side of path:                     504 steps. Energy=    -297.1338578       time=       0.40
 Minus side of path:                     508 steps. Energy=    -296.5531753       time=       0.41

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -297.1338578  2.2431         -294.8908034  1.6624         -296.5531753  13.188   5.795   5.928  13.327
        Known (#7)                                              *NEW* (Placed in 11)
 Unconnected minimum 11 found its way to F set.

 tryconnect> 70-iteration DNEB run for minima 4_U and 9_U using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      6.768393620    
 Double-ended search iterations= 70 RMS= 0.6429 Dev= 2.34% S= 8.17 time= 0.08
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         82
 DNEB run yielded 1 true transition state(s) time=   1.39

 >>>>>  Path run for ts 8 ...
 Plus  side of path:                     558 steps. Energy=    -297.0253819       time=       0.46
 Minus side of path:                     538 steps. Energy=    -295.0335421       time=       0.44

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -297.0253819  4.9552         -292.0701546  2.9634         -295.0335421  10.840   9.658   4.898  16.129
        Known (#1)                                              *NEW* (Placed in 12)
 Unconnected minimum 12 found its way to S set.

 tryconnect> 70-iteration DNEB run for minima 1_S and 9_U using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 0.0223 Dev= 0.01% S= 3.92 time= 0.08
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         11
 DNEB run yielded 1 true transition state(s) time=   0.46

 >>>>>  Path run for ts 9 ...
 Plus  side of path:                     446 steps. Energy=    -297.0152333       time=       0.33
 Minus side of path:                     469 steps. Energy=    -297.0253819       time=       0.36

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -297.0152333 0.49078E-01     -296.9661554 0.59227E-01     -297.0253819   3.933   3.919   2.559  30.874
        Known (#9)                                              Known (#1)
 Unconnected minimum 9 found its way to S set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 5 >>>>>>>>>>>>>>>>>>>>> 12 minima and 9 ts are known >>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      6 steps with      2 missing connections, weight=     367.98    
 decide> The unconnected minima in the chain and their distances are:
     7        2.65     3     4        4.80     1 
 

 tryconnect> 210-iteration DNEB run for minima 3_U and 7_F using 6 images  (DNEB attempt #2)  ...
 lbfgs> Final DNEB force constant      1.420456823    
 Double-ended search iterations= 210 RMS= 0.0884 Dev= 2.12% S= 3.87 time= 0.70
 Following    1 images are candidates for TS:    3  
 Converged to TS (number of iterations):         10
 DNEB run yielded 1 true transition state(s) time=   0.46

 >>>>>  Path run for ts 10 ...
 Plus  side of path:                     473 steps. Energy=    -297.1338578       time=       0.37
 Minus side of path:                     459 steps. Energy=    -299.2840590       time=       0.35

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -297.1338578  4.2536         -292.8802497  6.4038         -299.2840590   3.595   2.649   6.592  11.984
        Known (#7)                                              Known (#3)
 Unconnected minimum 3 found its way to F set.

 checkpair> Energies of the minima in the pair     1    4 are the same - checking distance ...

 tryconnect> 700-iteration DNEB run for minima 1_S and 4_F using 20 images  (DNEB attempt #3)  ...
 lbfgs> Final DNEB force constant      21.82874588    
 Double-ended search iterations= 700 RMS= 0.1122 Dev= 5.67% S= 9.62 time= 7.56
 Following    1 images are candidates for TS:    8  
 Converged to TS (number of iterations):         35
 DNEB run yielded 1 true transition state(s) time=   0.84
 isnewts> transition state is the same as number        8 energy=     -292.0701545559
 tryconnect> Try the path again for ts      1 with pushoff=    0.1000000000E-01

 >>>>>  Path run for ts 11 ...
 tryconnect> Trying this transition state path again with pushoff=    0.1000000000E-01
 Plus  side of path:                     540 steps. Energy=    -295.0335421       time=       0.44
 Minus side of path:                     563 steps. Energy=    -297.0253819       time=       0.46

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -295.0335421  2.9634         -292.0701546  4.9552         -297.0253819  10.840   9.657   4.908  16.095
        Known (#12)                                             Known (#1)
 Alternative path found between members of the S set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 6 >>>>>>>>>>>>>>>>>>>>> 12 minima and 11 ts are known >>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      7 steps with      1 missing connections, weight=     468.13    
 decide> The unconnected minima in the chain and their distances are:
     4        6.16     9 
 

 tryconnect> 490-iteration DNEB run for minima 4_F and 9_S using 14 images  (DNEB attempt #2)  ...
 lbfgs> Final DNEB force constant      14.77455444    
 Double-ended search iterations= 490 RMS= 0.1299 Dev= 4.14% S= 9.74 time= 3.69
 Following    1 images are candidates for TS:    9  
 Converged to TS (number of iterations):         55
 DNEB run yielded 1 true transition state(s) time=   1.07
 isnewts> transition state is the same as number        8 energy=     -292.0701545559
 tryconnect> Will not repeat search for TS      1 same as TS      8
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 7 >>>>>>>>>>>>>>>>>>>>> 12 minima and 11 ts are known >>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      8 steps with      1 missing connections, weight=     677.78    
 decide> The unconnected minima in the chain and their distances are:
     4        8.78    10 
 

 tryconnect> 70-iteration DNEB run for minima 4_F and 10_S using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      9.070294785    
 Double-ended search iterations= 70 RMS= 3.4390 Dev= 0.57% S= 10.44 time= 0.08
 Following    1 images are candidates for TS:    2  
 Failed to converge to TS (number of iterations):        251
 DNEB run yielded 0 true transition state(s) time=   6.37
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 8 >>>>>>>>>>>>>>>>>>>>> 12 minima and 11 ts are known >>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      7 steps with      1 missing connections, weight=     702.19    
 decide> The unconnected minima in the chain and their distances are:
     4        6.16     9 
 

 tryconnect> 805-iteration DNEB run for minima 4_F and 9_S using 23 images  (DNEB attempt #3)  ...
 lbfgs> Final DNEB force constant      22.92018318    
 Double-ended search iterations= 805 RMS= 0.2549 Dev= 4.71% S= 11.58 time= 9.97
 Following    1 images are candidates for TS:   14  
 Converged to TS (number of iterations):         40
 DNEB run yielded 1 true transition state(s) time=   0.89
 isnewts> transition state is the same as number        8 energy=     -292.0701545559
 tryconnect> Will not repeat search for TS      1 same as TS      8
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 9 >>>>>>>>>>>>>>>>>>>>> 12 minima and 11 ts are known >>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      2 steps with      1 missing connections, weight=     849.27    
 decide> The unconnected minima in the chain and their distances are:
     2        9.47     6 
 

 tryconnect> 70-iteration DNEB run for minima 2_F and 6_S using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 0.3826 Dev= 0.32% S= 9.86 time= 0.08
 Following    1 images are candidates for TS:    1  
 Converged to TS (number of iterations):         34
 DNEB run yielded 1 true transition state(s) time=   0.77

 >>>>>  Path run for ts 12 ...
 Plus  side of path:                     509 steps. Energy=    -295.9033542       time=       0.41
 Minus side of path:                     498 steps. Energy=    -297.8796987       time=       0.39

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -295.9033542  3.0582         -292.8451875  5.0345         -297.8796987   9.067   8.078   5.198  15.198
        *NEW* (Placed in 13)                                    *NEW* (Placed in 14)
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 10 >>>>>>>>>>>>>>>>>>>>> 14 minima and 12 ts are known >>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      9 steps with      2 missing connections, weight=     238.46    
 decide> The unconnected minima in the chain and their distances are:
     4        5.82    14    13        3.47     6 
 

 tryconnect> 70-iteration DNEB run for minima 4_F and 14_U using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 0.8840 Dev= 0.34% S= 6.29 time= 0.08
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):        143
 DNEB run yielded 1 true transition state(s) time=   2.38

 >>>>>  Path run for ts 13 ...
 Plus  side of path:                     632 steps. Energy=    -297.8796987       time=       0.54
 Minus side of path:                     456 steps. Energy=    -291.4156588       time=       0.35

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -297.8796987  6.4976         -291.3821313 0.33527E-01     -291.4156588  12.628  12.000   2.061  38.339
        Known (#14)                                             *NEW* (Placed in 15)
 Connection established between members of the U set.

 tryconnect> 70-iteration DNEB run for minima 6_S and 13_U using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 1.0662 Dev= 1.35% S= 3.98 time= 0.08
 Following    1 images are candidates for TS:    1  
 Converged to TS (number of iterations):         21
 DNEB run yielded 1 true transition state(s) time=   0.58

 >>>>>  Path run for ts 14 ...
 Plus  side of path:                     474 steps. Energy=    -295.4062414       time=       0.37
 Minus side of path:                     456 steps. Energy=    -295.0335421       time=       0.35

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -295.4062414 0.44714         -294.9591044 0.74438E-01     -295.0335421   5.193   4.990   7.623  10.363
        *NEW* (Placed in 16)                                    Known (#6)
 Unconnected minimum 16 found its way to S set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 11 >>>>>>>>>>>>>>>>>>>>> 16 minima and 14 ts are known >>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      9 steps with      2 missing connections, weight=     476.93    
 decide> The unconnected minima in the chain and their distances are:
     4        5.82    14    13        3.47     6 
 

 tryconnect> 455-iteration DNEB run for minima 4_F and 14_U using 13 images  (DNEB attempt #2)  ...
 lbfgs> Final DNEB force constant      37.33456322    
 Double-ended search iterations= 455 RMS= 0.2931 Dev= 9.61% S= 7.24 time= 3.23
 Following    1 images are candidates for TS:    9  
 Converged to TS (number of iterations):         14
 DNEB run yielded 1 true transition state(s) time=   0.56

 >>>>>  Path run for ts 15 ...
 Plus  side of path:                     493 steps. Energy=    -297.3730826       time=       0.39
 Minus side of path:                     516 steps. Energy=    -297.8796987       time=       0.41

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -297.3730826  6.4417         -290.9313438  6.9484         -297.8796987   7.240   3.365   3.584  22.041
        *NEW* (Placed in 17)                                    Known (#14)
 Connection established between members of the U set.

 tryconnect> 245-iteration DNEB run for minima 6_S and 13_U using 7 images  (DNEB attempt #2)  ...
 lbfgs> Final DNEB force constant      12.76281563    
 Double-ended search iterations= 245 RMS= 0.1211 Dev= 4.63% S= 4.51 time= 0.96
 Following    1 images are candidates for TS:    3  
 Converged to TS (number of iterations):         11
 DNEB run yielded 1 true transition state(s) time=   0.50

 >>>>>  Path run for ts 16 ...
 Plus  side of path:                     492 steps. Energy=    -295.0335421       time=       0.39
 Minus side of path:                     495 steps. Energy=    -295.9033542       time=       0.39

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -295.0335421  5.9950         -289.0385074  6.8648         -295.9033542   4.746   3.466   9.917   7.966
        Known (#6)                                              Known (#13)
 Unconnected minimum 13 found its way to S set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 12 >>>>>>>>>>>>>>>>>>>>> 17 minima and 16 ts are known >>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has     10 steps with      1 missing connections, weight=     62.436    
 decide> The unconnected minima in the chain and their distances are:
     4        3.97    17 
 

 tryconnect> 70-iteration DNEB run for minima 4_F and 17_S using 2 images  (DNEB attempt #1)  ...
 lbfgs> Final DNEB force constant      5.050679530    
 Double-ended search iterations= 70 RMS= 0.0829 Dev= 0.05% S= 3.99 time= 0.08
 Following    1 images are candidates for TS:    2  
 Converged to TS (number of iterations):         11
 DNEB run yielded 1 true transition state(s) time=   0.49

 >>>>>  Path run for ts 17 ...
 Plus  side of path:                     493 steps. Energy=    -297.3730826       time=       0.38
 Minus side of path:                     494 steps. Energy=    -297.0253819       time=       0.38

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -297.3730826 0.69848         -296.6746032 0.35078         -297.0253819   4.144   3.967   9.032   8.747
        Known (#17)                                             Known (#4)
 Connected path found
  ts        E+         Ets - E+          Ets       Ets - E-          E-          S       D      gamma   ~N
   3     -297.0253819  3.0154        -294.0100169  1.0235        -295.0335421  12.766  10.653   8.038   9.828
  16     -295.0335421  5.9950        -289.0385074  6.8648        -295.9033542   4.746   3.466   9.917   7.966
  12     -295.9033542  3.0582        -292.8451875  5.0345        -297.8796987   9.067   8.078   5.198  15.198
  15     -297.8796987  6.9484        -290.9313438  6.4417        -297.3730826   7.240   3.365   3.584  22.041
  17     -297.3730826 0.69848        -296.6746032 0.35078        -297.0253819   4.144   3.967   9.032   8.747
   1     -297.0253819  3.2592        -293.7661610  5.5179        -299.2840590  14.646  12.518   4.855  16.274
  10     -299.2840590  6.4038        -292.8802497  4.2536        -297.1338578   3.595   2.649   6.592  11.984
   4     -297.1338578 0.25555        -296.8783051 0.92365E-02    -296.8875417   2.438   2.354   3.416  23.125
   6     -296.8875417 0.48308E-01    -296.8392334 0.66363E-01    -296.9055963   2.095   2.045  12.696   6.223
   2     -296.9055963  4.0643        -292.8412530 0.71432E-01    -292.9126854   6.326   6.257   7.560  10.450

 Number of TS in the path       =     10
 Number of cycles               =     12

 Elapsed time=                                90.88
 OPTIM> # of energy calls=                          0 time=           0.00 %=  0.0
 OPTIM> # of energy+gradient calls=            127134 time=          65.18 %= 71.7
 OPTIM> # of energy+gradient+Hessian calls=      1032 time=           1.14 %=  1.2
