
 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> input coordinates for AMBER9 system will be read from 
start
start               

          -------------------------------------------------------
          Amber 9  SANDER                              2006
          -------------------------------------------------------

| Run on 05/27/2012 at 17:41:53
  [-O]verwriting output

File Assignments:
|  MDIN: min.in                                                                
| MDOUT: min.out                                                               
|INPCRD: coords.inpcrd                                                         
|  PARM: coords.prmtop                                                         
|RESTRT: coords.rst                                                            
|  REFC: refc                                                                  
| MDVEL: mdvel                                                                 
|  MDEN: mden                                                                  
| MDCRD: coords.mdcrd                                                          
|MDINFO: mdinfo                                                                
|INPDIP: inpdip                                                                
|RSTDIP: rstdip                                                                


 Here is the input file:

Minimization                                                                   
&cntrl                                                                         
   imin=1, maxcyc=1, ncyc=1,                                                   
   igb=2, saltcon=0.2,                                                         
   ntpr=1, ntx=1, ntb=0,                                                       
   cut = 999.0                                                                 
 /                                                                             
	                                                                              

--------------------------------------------------------------------------------
   1.  RESOURCE   USE: 
--------------------------------------------------------------------------------

| Flags:                                                                        
| New format PARM file being parsed.
| Version =    1.000 Date = 02/24/09 Time = 08:52:47
 NATOM  =     218 NTYPES =      12 NBONH =     102 MBONA  =     123
 NTHETH =     230 MTHETA =     169 NPHIH =     463 MPHIA  =     323
 NHPARM =       0 NPARM  =       0 NNB   =    1202 NRES   =      12
 NBONA  =     123 NTHETA =     169 NPHIA =     323 NUMBND =      27
 NUMANG =      57 NPTRA  =      40 NATYP =      21 NPHB   =       0
 IFBOX  =       0 NMXRS  =      24 IFCAP =       0 NEXTRA =       0
 NCOPY  =       0

 Implicit solvent radii are modified Bondi radii (mbondi)                                                   

|     Memory Use     Allocated
|     Real               14260
|     Hollerith           1322
|     Integer            31189
|     Max Pairs              1
|     nblistReal             0
|     nblist Int             0
|       Total              238 kbytes
| Duplicated    0 dihedrals
| Duplicated    0 dihedrals

--------------------------------------------------------------------------------
   2.  CONTROL  DATA  FOR  THE  RUN
--------------------------------------------------------------------------------

                                                                                

General flags:
     imin    =       1, nmropt  =       0
     ifswitch=       0, fswitchbeta=  10.000
 mdread> no continuous cutoff will be used for non-bonded terms

Nature and format of input:
     ntx     =       1, irest   =       0, ntrx    =       1

Nature and format of output:
     ntxo    =       1, ntpr    =       1, ntrx    =       1, ntwr    =     500
     iwrap   =       0, ntwx    =       0, ntwv    =       0, ntwe    =       0
     ioutfm  =       0, ntwprt  =       0, idecomp =       0, rbornstat=      0

Potential function:
     ntf     =       1, ntb     =       0, igb     =       2, nsnb    =      25
     ipol    =       0, gbsa    =       0, iesp    =       0
     dielc   =   1.00000, cut     = 999.00000, intdiel =   1.00000
     saltcon =   0.20000, offset  =   0.09000, gbalpha=    0.80000
     gbbeta  =   0.00000, gbgamma =   2.90912, surften =   0.00500
     rdt     =   0.00000, rgbmax  =  25.00000
     alpb  =        0
     scnb    =   2.00000, scee    =   1.20000

Frozen or restrained atoms:
     ibelly  =       0, ntr     =       0

Energy minimization:
     maxcyc  =       1, ncyc    =       1, ntmin   =       1
     dx0     =   0.01000, drms    =   0.00010
|  INFO: Old style inpcrd file read


--------------------------------------------------------------------------------
   3.  ATOMIC COORDINATES AND VELOCITIES
--------------------------------------------------------------------------------

                                                                                
 begin time read from input coords =     0.000 ps

 Number of triangulated 3-point waters found:        0
 getparams> Number of atoms (or variables)  determined as    218
 keyword> Constraint potential parameters read from file congeom.dat
 keyword> Local permutational alignment: alignment threshold=        1.00000
 keyword> Local permutational alignment: alignment cutoff=           5.00000
 keyword> Number of groups of permutable atoms=    25
read argument: coords.prmtop 
Reading parm file (coords.prmtop)
title:
                                                                                
 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>  654 Cartesian coordinates will be optimised for  218 AMBER 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
 fetchz> Using constraint potential for initial interpolation in each cycle
         with absolute distance change tolerance         0.30000
         extra distance before turning on constraint potential         0.17500
         constraint spring constant=       10.00000
         image distance spring constant=        1.00000
         repulsion factor between unconstrained atoms=      100.00000
         repulsion cutoff will be the minimum of         1.55000 and the shortest distance in the end points
         fraction for restoring true potential=        0.99000
         maximum separation of atoms in sequence for constraint=   218
         minimum separation of atoms in sequence for repulsion=     0
         maximum optimization steps for constrained potential=  300001
         initial # images for constrained potential, maximum, check interval=       3      75      25
         number of interpolation attempts and initial image increment=       2      12
         RMS gradient per image tolerance for constrained potential=        0.01000
         maximum optimization steps for constrained/real potential=      25
         maximum steps for relaxation after adding a new atom before backtrack=     200
         maximum number of constraints per atom=     6
         maximum energy per image for convergence during constraint potential phase=        0.1000000000
         interval for checking repulsive interactions=    10
         multiple of cutoff for repulsion neighbour list=        2.0000000000
         adding terms for constraint internal minima
         Minimum and Maximum image separations:         0.05000       10.00000
 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> Number of updates in qci=   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=    -451.9866998     RMS force=    0.9559130746E-06
 OPTIM> Final energy  =    -455.3937659     RMS force=    0.9929377711E-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 from interp function and dist, power=     3

 initialise> Interpolation metric value for minima 1 and 2 is      50.60878886    
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 1 >>>>>>>>>>>>>>>>>>>>> 2 minima and 0 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      1 steps with      1 missing connections, weight=     71267.    
 decide> The unconnected minima in the chain and their distances are:
     2       41.41     1 
 

 tryconnect> Interpolation for minima 1_S and 2_F using 3 initial images  (interp attempt #1)  ...
 intlbfgs> Maximum number of steps for constraint potential phase is 300001
 intlbfgs> Total number of atoms moving less than threshold=    91
 intlbfgs> constrained potential finished, time=       0.0
 intlbfgs> switch on true potential at step    542 fraction=    0.990000 images=     4 time=       0.8
 intlbfgs> Allowing     25 further optimization steps
 intlbfgs> After    567 steps, energy/image=    -413.6553977     RMS=1.185429338     images=   5
 intlbfgs> First  minimum number      1
 intlbfgs> Second minimum number      2
 intlbfgs> DNEB for minima      1     2 dist=   45.01     Attempts, images and iterations=     0    13   455
 lbfgs> Final DNEB force constant     0.1179705990    
 Double-ended search iterations= 455 RMS= 0.0454 Dev= 3.78% S= 53.59 time= 44.52
 Following    1 images are candidates for TS:    7  
 Converged to TS (number of iterations):         56
 DNEB run yielded 1 true transition state(s) time=  44.48

 >>>>>  Path run for ts 1 ...
 Plus  side of path:                    1191 steps. Energy=    -455.3937659       time=      12.51
 Minus side of path:                    1243 steps. Energy=    -454.1553083       time=      13.42

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -455.3937659  4.6096         -450.7841844  3.3711         -454.1553083  15.057  12.635  20.205  10.789
        Known (#2)                                              *NEW* (Placed in 3)
 checkperc> Increasing con cutoff atoms    50   51 from     0.13412E-02 to     0.13553E-02 ref=     1.2314    
 checkperc> Increasing con cutoff atoms    74   75 from     0.10751E-02 to     0.11024E-02 ref=     1.2340    
 checkperc> Increasing con cutoff atoms    78   84 from     0.80612E-01 to     0.84331E-01 ref=     2.7719    
 checkperc> Increasing con cutoff atoms    78   86 from     0.20713E-01 to     0.21725E-01 ref=     3.9236    
 Unconnected minimum 3 found its way to F set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 2 >>>>>>>>>>>>>>>>>>>>> 3 minima and 1 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      2 steps with      1 missing connections, weight=     55098.    
 decide> The unconnected minima in the chain and their distances are:
     3       38.01     1 
 

 tryconnect> Interpolation for minima 1_S and 3_F using 3 initial images  (interp attempt #1)  ...
 intlbfgs> Maximum number of steps for constraint potential phase is 300001
 intlbfgs> Total number of atoms moving less than threshold=    81
 intlbfgs> constrained potential finished, time=       0.0
 intlbfgs> switch on true potential at step    351 fraction=    0.990000 images=     5 time=       0.6
 intlbfgs> Allowing     25 further optimization steps
 intlbfgs> After    376 steps, energy/image=    -419.1086110     RMS=1.010594503     images=   6
 intlbfgs> First  minimum number      1
 intlbfgs> Second minimum number      3
 intlbfgs> DNEB for minima      1     3 dist=   43.77     Attempts, images and iterations=     0    13   455
 lbfgs> Final DNEB force constant     0.1179705990    
 Double-ended search iterations= 455 RMS= 0.0383 Dev= 2.19% S= 46.04 time= 44.10
 Following    1 images are candidates for TS:    7  
 Failed to converge to TS (number of iterations):        251
 DNEB run yielded 0 true transition state(s) time= 126.16
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 3 >>>>>>>>>>>>>>>>>>>>> 3 minima and 1 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      2 steps with      1 missing connections, weight=    0.11020E+06
 decide> The unconnected minima in the chain and their distances are:
     3       38.01     1 
 

 tryconnect> Interpolation for minima 1_S and 3_F using 15 initial images  (interp attempt #2)  ...
 intlbfgs> Maximum number of steps for constraint potential phase is 300001
 intlbfgs> Total number of atoms moving less than threshold=    81
 intlbfgs> constrained potential finished, time=       0.0
 intlbfgs> switch on true potential at step    298 fraction=    0.990000 images=    17 time=       1.9
 intlbfgs> Allowing     25 further optimization steps
 intlbfgs> After    323 steps, energy/image=     138.2094815     RMS=15.40845556     images=  17
 intlbfgs> First  minimum number      1
 intlbfgs> Second minimum number      3
 intlbfgs> DNEB for minima      1     3 dist=   82.12     Attempts, images and iterations=     3    23   805
 lbfgs> Final DNEB force constant     0.1070028109    
 Double-ended search iterations= 805 RMS= 0.0614 Dev= 3.47% S= 49.89 time= 137.63
 Following    2 images are candidates for TS:    3   13  
 Converged to TS (number of iterations):         47
 Converged to TS (number of iterations):        149
 DNEB run yielded 2 true transition state(s) time= 105.62

 >>>>>  Path run for ts 2 ...
 Plus  side of path:                    1224 steps. Energy=    -451.9866998       time=      12.94
 Minus side of path:                    1246 steps. Energy=    -452.3035812       time=      13.50

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -451.9866998 0.24159         -451.7451099 0.55847         -452.3035812  13.773  13.449   6.326  34.463
        Known (#1)                                              *NEW* (Placed in 4)
 checkperc> Increasing con cutoff atoms    16   17 from     0.50027E-03 to     0.99796E-03 ref=     1.0924    
 checkperc> Increasing con cutoff atoms    19   21 from     0.16564E-01 to     0.28397E-01 ref=     2.1142    
 checkperc> Increasing con cutoff atoms    19   26 from     0.10437     to     0.13156     ref=     4.3382    
 checkperc> Increasing con cutoff atoms    19   28 from     0.11808     to     0.17031     ref=     6.4630    
 checkperc> Increasing con cutoff atoms    20   21 from     0.16842E-01 to     0.19645E-01 ref=     2.1008    
 checkperc> Increasing con cutoff atoms    20   24 from     0.72508E-01 to     0.72768E-01 ref=     4.2650    
 checkperc> Increasing con cutoff atoms    31   35 from     0.15432E-02 to     0.15872E-02 ref=     2.4575    
 checkperc> Increasing con cutoff atoms    32   35 from     0.19060E-02 to     0.21812E-02 ref=     3.4318    
 checkperc> Increasing con cutoff atoms    36   37 from     0.14982E-02 to     0.20555E-02 ref=     1.2356    
 checkperc> Increasing con cutoff atoms    36   41 from     0.95751E-01 to     0.10174     ref=     2.7276    
 checkperc> Increasing con cutoff atoms    39   41 from     0.80537E-01 to     0.93871E-01 ref=     2.9012    
 checkperc> Increasing con cutoff atoms    40   52 from     0.20303E-01 to     0.24475E-01 ref=     2.4475    
 checkperc> Increasing con cutoff atoms    40   53 from     0.34449E-01 to     0.41140E-01 ref=     2.5437    
 checkperc> Increasing con cutoff atoms    42   44 from     0.12209E-02 to     0.17139E-02 ref=     1.5312    
 checkperc> Increasing con cutoff atoms    42   46 from     0.39144E-02 to     0.51057E-02 ref=     2.1612    
 checkperc> Increasing con cutoff atoms    51   52 from     0.10733E-01 to     0.12408E-01 ref=     2.2550    
 checkperc> Increasing con cutoff atoms    51   53 from     0.68927E-02 to     0.76436E-02 ref=     3.1338    
 checkperc> Increasing con cutoff atoms    52   53 from     0.15723E-02 to     0.17587E-02 ref=     1.0083    
 checkperc> Increasing con cutoff atoms    56   59 from     0.45205E-02 to     0.52399E-02 ref=     1.5025    
 checkperc> Increasing con cutoff atoms    56   62 from     0.37934E-02 to     0.51984E-02 ref=     3.6890    
 checkperc> Increasing con cutoff atoms    56   64 from     0.13544E-01 to     0.14808E-01 ref=     3.8187    
 checkperc> Increasing con cutoff atoms    56   65 from     0.20301E-01 to     0.21739E-01 ref=     5.1095    
 checkperc> Increasing con cutoff atoms    56   66 from     0.13550E-01 to     0.14487E-01 ref=     5.9786    
 checkperc> Increasing con cutoff atoms    56   67 from     0.33708E-01 to     0.35086E-01 ref=     5.5159    
 checkperc> Increasing con cutoff atoms    56   68 from     0.34475E-01 to     0.35800E-01 ref=     6.5932    
 checkperc> Increasing con cutoff atoms    56   69 from     0.42615E-01 to     0.43805E-01 ref=     4.8187    
 checkperc> Increasing con cutoff atoms    56   70 from     0.47075E-01 to     0.48228E-01 ref=     5.5458    
 checkperc> Increasing con cutoff atoms    56   71 from     0.44573E-01 to     0.45820E-01 ref=     3.4289    
 checkperc> Increasing con cutoff atoms    56   73 from     0.23743E-01 to     0.24601E-01 ref=     2.6868    
 checkperc> Increasing con cutoff atoms    59   62 from     0.37688E-02 to     0.40965E-02 ref=     2.2367    
 checkperc> Increasing con cutoff atoms    59   63 from     0.20564E-02 to     0.26181E-02 ref=     3.2005    
 checkperc> Increasing con cutoff atoms    59   64 from     0.28564E-02 to     0.37068E-02 ref=     2.3485    
 checkperc> Increasing con cutoff atoms    60   64 from     0.29290E-02 to     0.29772E-02 ref=     2.2813    
 checkperc> Increasing con cutoff atoms    60   65 from     0.41224E-02 to     0.46066E-02 ref=     3.6629    
 checkperc> Increasing con cutoff atoms    60   66 from     0.71110E-02 to     0.84607E-02 ref=     4.1942    
 checkperc> Increasing con cutoff atoms    60   67 from     0.15537E-02 to     0.20062E-02 ref=     4.6481    
 checkperc> Increasing con cutoff atoms    60   68 from     0.22452E-02 to     0.27089E-02 ref=     5.6724    
 checkperc> Increasing con cutoff atoms    60   69 from     0.15675E-02 to     0.18651E-02 ref=     4.6356    
 checkperc> Increasing con cutoff atoms    61   64 from     0.33011E-02 to     0.33596E-02 ref=     3.3180    
 checkperc> Increasing con cutoff atoms    61   65 from     0.55492E-02 to     0.59522E-02 ref=     4.6649    
 checkperc> Increasing con cutoff atoms    61   66 from     0.99234E-02 to     0.11227E-01 ref=     5.0798    
 checkperc> Increasing con cutoff atoms    61   67 from     0.21904E-02 to     0.27362E-02 ref=     5.7144    
 checkperc> Increasing con cutoff atoms    61   68 from     0.34380E-02 to     0.37578E-02 ref=     6.7235    
 checkperc> Increasing con cutoff atoms    62   65 from     0.45811E-02 to     0.49407E-02 ref=     2.5503    
 checkperc> Increasing con cutoff atoms    62   66 from     0.70417E-02 to     0.93333E-02 ref=     2.8877    
 checkperc> Increasing con cutoff atoms    63   66 from     0.99848E-02 to     0.10116E-01 ref=     2.8826    
 checkperc> Increasing con cutoff atoms    64   66 from     0.78924E-03 to     0.99068E-03 ref=     2.1603    
 checkperc> Increasing con cutoff atoms    64   69 from     0.28680E-02 to     0.28707E-02 ref=     2.7873    
 checkperc> Increasing con cutoff atoms    64   70 from     0.28558E-02 to     0.30313E-02 ref=     3.8695    
 checkperc> Increasing con cutoff atoms    65   66 from     0.40834E-03 to     0.64557E-03 ref=     1.0810    
 checkperc> Increasing con cutoff atoms    66   67 from     0.10355E-02 to     0.15651E-02 ref=     2.1647    
 checkperc> Increasing con cutoff atoms    66   68 from     0.14079E-02 to     0.26130E-02 ref=     2.4980    
 Unconnected minimum 4 found its way to S set.

 >>>>>  Path run for ts 3 ...
 Plus  side of path:                    1464 steps. Energy=    -454.9304745       time=      16.91
 Minus side of path:                    1270 steps. Energy=    -452.4562929       time=      14.17

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -454.9304745  3.1502         -451.7803237 0.67597         -452.4562929  38.000  33.632   2.192  99.457
        *NEW* (Placed in 5)                                     *NEW* (Placed in 6)
 checkperc> Increasing con cutoff atoms    26   33 from     0.17298E-02 to     0.17886E-02 ref=     2.4203    
 checkperc> Increasing con cutoff atoms    26   34 from     0.18113E-02 to     0.19391E-02 ref=     3.4063    
 checkperc> Increasing con cutoff atoms    29   35 from     0.25996E-02 to     0.28934E-02 ref=     2.8544    
 checkperc> Increasing con cutoff atoms    31   33 from     0.64126E-03 to     0.89100E-03 ref=     1.4087    
 checkperc> Increasing con cutoff atoms    37   38 from     0.65974E-02 to     0.73072E-02 ref=     2.2624    
 checkperc> Increasing con cutoff atoms    40   55 from     0.59857E-01 to     0.72059E-01 ref=     4.1764    
 checkperc> Increasing con cutoff atoms    44   47 from     0.21137E-03 to     0.21943E-03 ref=     1.0903    
 checkperc> Increasing con cutoff atoms    50   51 from     0.13553E-02 to     0.13748E-02 ref=     1.2314    
 checkperc> Increasing con cutoff atoms    57   58 from     0.28875E-02 to     0.32089E-02 ref=     1.7548    
 checkperc> Increasing con cutoff atoms    57   60 from     0.91802E-01 to     0.59475     ref=     2.7162    
 checkperc> Increasing con cutoff atoms    57   62 from     0.59014E-01 to     0.29099     ref=     4.0059    
 checkperc> Increasing con cutoff atoms    57   63 from     0.82077E-01 to     0.46019     ref=     4.7937    
 checkperc> Increasing con cutoff atoms    57   64 from     0.24141E-01 to     0.26003     ref=     4.4182    
 checkperc> Increasing con cutoff atoms    57   65 from     0.41553E-01 to     0.45048     ref=     5.7596    
 checkperc> Increasing con cutoff atoms    57   66 from     0.31055E-01 to     0.28594     ref=     6.5500    
 checkperc> Increasing con cutoff atoms    57   67 from     0.82048E-01 to     0.81016     ref=     6.2890    
 checkperc> Increasing con cutoff atoms    57   68 from     0.86185E-01 to     0.84471     ref=     7.3675    
 checkperc> Increasing con cutoff atoms    57   69 from     0.11477     to      1.0964     ref=     5.6790    
 checkperc> Increasing con cutoff atoms    57   70 from     0.13603     to      1.2744     ref=     6.4347    
 checkperc> Increasing con cutoff atoms    57   71 from     0.11569     to      1.1219     ref=     4.3134    
 checkperc> Increasing con cutoff atoms    57   72 from     0.14775     to      1.4175     ref=     4.1724    
 checkperc> Increasing con cutoff atoms    57   73 from     0.59435E-01 to     0.60095     ref=     3.4566    
 checkperc> Increasing con cutoff atoms    58   62 from     0.10318     to     0.22929     ref=     4.2168    
 checkperc> Increasing con cutoff atoms    58   64 from     0.99154E-01 to     0.20809     ref=     4.2075    
 checkperc> Increasing con cutoff atoms    58   66 from     0.11353     to     0.23146     ref=     6.3197    
 checkperc> Increasing con cutoff atoms    64   72 from     0.34296E-02 to     0.37648E-02 ref=     3.4048    
 checkperc> Increasing con cutoff atoms    74   75 from     0.11024E-02 to     0.11306E-02 ref=     1.2340    
 checkperc> Increasing con cutoff atoms    76   78 from     0.30212E-02 to     0.30248E-02 ref=     1.4714    
 checkperc> Increasing con cutoff atoms    20   27 from     0.69005E-01 to     0.70910E-01 ref=     5.3119    
 checkperc> Increasing con cutoff atoms    20   29 from     0.12789     to     0.13254     ref=     5.4879    
 checkperc> Increasing con cutoff atoms    20   30 from     0.13270     to     0.13677     ref=     6.5312    
 checkperc> Increasing con cutoff atoms    20   35 from     0.95855E-01 to     0.99411E-01 ref=     2.8652    
 checkperc> Increasing con cutoff atoms    40   55 from     0.72059E-01 to     0.76252E-01 ref=     4.1764    
 checkperc> Increasing con cutoff atoms    54   64 from     0.66980E-01 to     0.18213     ref=     4.6606    
 checkperc> Increasing con cutoff atoms    54   65 from     0.14947     to     0.34119     ref=     5.8451    
 checkperc> Increasing con cutoff atoms    54   66 from     0.79103E-01 to     0.21468     ref=     6.7435    
 checkperc> Increasing con cutoff atoms    57   60 from     0.59475     to     0.65262     ref=     2.7162    
 checkperc> Increasing con cutoff atoms    57   62 from     0.29099     to     0.31352     ref=     4.0059    
 checkperc> Increasing con cutoff atoms    57   63 from     0.46019     to     0.49626     ref=     4.7937    
 checkperc> Increasing con cutoff atoms    57   64 from     0.26003     to     0.29585     ref=     4.4182    
 checkperc> Increasing con cutoff atoms    57   65 from     0.45048     to     0.51207     ref=     5.7596    
 checkperc> Increasing con cutoff atoms    57   66 from     0.28594     to     0.33000     ref=     6.5500    
 checkperc> Increasing con cutoff atoms    57   67 from     0.81016     to     0.91490     ref=     6.2890    
 checkperc> Increasing con cutoff atoms    57   68 from     0.84471     to     0.95418     ref=     7.3675    
 checkperc> Increasing con cutoff atoms    57   69 from      1.0964     to      1.2354     ref=     5.6790    
 checkperc> Increasing con cutoff atoms    57   70 from      1.2744     to      1.4344     ref=     6.4347    
 checkperc> Increasing con cutoff atoms    57   71 from      1.1219     to      1.2651     ref=     4.3134    
 checkperc> Increasing con cutoff atoms    57   72 from      1.4175     to      1.6037     ref=     4.1724    
 checkperc> Increasing con cutoff atoms    57   73 from     0.60095     to     0.67501     ref=     3.4566    
 checkperc> Increasing con cutoff atoms    60   61 from     0.62092E-03 to     0.88218E-03 ref=     1.0842    
 checkperc> Increasing con cutoff atoms    60   63 from     0.19128E-02 to     0.44739E-02 ref=     2.1150    
 checkperc> Increasing con cutoff atoms    60   74 from     0.11656     to     0.29968     ref=     4.8893    
 checkperc> Increasing con cutoff atoms    61   62 from     0.30064E-02 to     0.44280E-02 ref=     2.1925    
 checkperc> Increasing con cutoff atoms    61   63 from     0.51867E-02 to     0.10718E-01 ref=     2.5626    
 checkperc> Increasing con cutoff atoms    61   67 from     0.27362E-02 to     0.28264E-02 ref=     5.7144    
 checkperc> Increasing con cutoff atoms    62   63 from     0.10452E-02 to     0.13362E-02 ref=     1.0152    
 checkperc> Increasing con cutoff atoms    62   74 from     0.90472E-01 to     0.15702     ref=     6.0564    
 checkperc> Increasing con cutoff atoms    63   74 from     0.12515     to     0.26991     ref=     6.9363    
 checkperc> Increasing con cutoff atoms    64   74 from     0.11369     to     0.20307     ref=     6.0343    
 checkperc> Increasing con cutoff atoms    66   74 from     0.13698     to     0.24838     ref=     8.1323    
 checkperc> Increasing con cutoff atoms    67   71 from     0.81213E-03 to     0.85560E-03 ref=     2.4443    
 checkperc> Increasing con cutoff atoms    68   69 from     0.27051E-03 to     0.30846E-03 ref=     2.1624    
 checkperc> Increasing con cutoff atoms    69   71 from     0.22069E-03 to     0.27228E-03 ref=     1.4087    
 checkperc> Increasing con cutoff atoms    71   72 from     0.11938E-02 to     0.12773E-02 ref=     1.0798    
 checkperc> Increasing con cutoff atoms    75   77 from     0.56826E-02 to     0.63080E-02 ref=     3.1383    
 checkperc> Increasing con cutoff atoms   135  137 from     0.13065     to     0.13382     ref=     2.8741    
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 4 >>>>>>>>>>>>>>>>>>>>> 6 minima and 3 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      5 steps with      2 missing connections, weight=     44829.    
 decide> The unconnected minima in the chain and their distances are:
     3       16.73     5     6       34.07     4 
 

 tryconnect> Interpolation for minima 3_F and 5_U using 3 initial images  (interp attempt #1)  ...
 intlbfgs> Maximum number of steps for constraint potential phase is 300001
 intlbfgs> Total number of atoms moving less than threshold=   205
 intlbfgs> Freezing    203 atoms
 intlbfgs> constrained potential finished, time=       0.0
 intlbfgs> Backtracking      1 steps, current active atoms=   210
 intlbfgs> Backtracking      2 steps, current active atoms=   215
 intlbfgs> Backtracking      3 steps, current active atoms=   216
 intlbfgs> Backtracking      4 steps, current active atoms=   214
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   212
 intlbfgs> Backtracking      2 steps, current active atoms=   210
 intlbfgs> Backtracking      3 steps, current active atoms=   210
 intlbfgs> Backtracking      2 steps, current active atoms=   211
 intlbfgs> Backtracking      3 steps, current active atoms=   213
 intlbfgs> Backtracking      4 steps, current active atoms=   211
 intlbfgs> Backtracking      2 steps, current active atoms=   215
 intlbfgs> Backtracking      3 steps, current active atoms=   215
 intlbfgs> Backtracking      4 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   215
 intlbfgs> Backtracking      4 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   215
 intlbfgs> Backtracking      4 steps, current active atoms=   217
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   215
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   215
 intlbfgs> Backtracking      4 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   218
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   218
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   217
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> Backtracking      5 steps, current active atoms=   216
 intlbfgs> Backtracking      6 steps, current active atoms=   216
 intlbfgs> ERROR *** number of active atoms at final step=   216

 tryconnect> Interpolation for minima 4_S and 6_U using 3 initial images  (interp attempt #1)  ...
 intlbfgs> Maximum number of steps for constraint potential phase is 300001
 intlbfgs> Total number of atoms moving less than threshold=   113
 intlbfgs> constrained potential finished, time=       0.0
 intlbfgs> switch on true potential at step    146 fraction=    0.990000 images=     3 time=       0.3
 intlbfgs> Allowing     25 further optimization steps
 intlbfgs> After    171 steps, energy/image=    -440.3298276     RMS=1.479442728     images=   4
 intlbfgs> First  minimum number      4
 intlbfgs> Second minimum number      6
 intlbfgs> DNEB for minima      4     6 dist=   39.78     Attempts, images and iterations=     0    11   385
 lbfgs> Final DNEB force constant     0.2335737168    
 Double-ended search iterations= 385 RMS= 0.0355 Dev= 0.54% S= 37.78 time= 31.42
 Following    1 images are candidates for TS:    6  
 Converged to TS (number of iterations):         63
 DNEB run yielded 1 true transition state(s) time=  38.69

 >>>>>  Path run for ts 4 ...
 Plus  side of path:                    1236 steps. Energy=    -454.7183664       time=      12.42
 Minus side of path:                    1254 steps. Energy=    -452.4562929       time=      12.67

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -454.7183664  3.1130         -451.6053771 0.85092         -452.4562929  23.783  16.818  16.146  13.502
        *NEW* (Placed in 7)                                     Known (#6)
 checkperc> Increasing con cutoff atoms    24   30 from     0.30639E-02 to     0.32803E-02 ref=     4.6897    
 checkperc> Increasing con cutoff atoms    26   29 from     0.16025E-02 to     0.18701E-02 ref=     2.4225    
 checkperc> Increasing con cutoff atoms    26   30 from     0.22043E-02 to     0.28694E-02 ref=     3.4062    
 checkperc> Increasing con cutoff atoms    26   34 from     0.19391E-02 to     0.19548E-02 ref=     3.4063    
 checkperc> Increasing con cutoff atoms    27   29 from     0.46627E-03 to     0.64971E-03 ref=     1.4050    
 checkperc> Increasing con cutoff atoms    27   30 from     0.12366E-02 to     0.22399E-02 ref=     2.1615    
 checkperc> Increasing con cutoff atoms    67   69 from     0.62852E-03 to     0.63298E-03 ref=     1.4061    
 Connection established between members of the U set.
 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 5 >>>>>>>>>>>>>>>>>>>>> 7 minima and 4 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      5 steps with      2 missing connections, weight=     39076.    
 decide> The unconnected minima in the chain and their distances are:
     2       21.16     5     7       30.68     4 
 

 tryconnect> Interpolation for minima 2_F and 5_U using 3 initial images  (interp attempt #1)  ...
 intlbfgs> Maximum number of steps for constraint potential phase is 300001
 intlbfgs> Total number of atoms moving less than threshold=   190
 intlbfgs> constrained potential finished, time=       0.0
 intlbfgs> Backtracking      1 steps, current active atoms=   193
 intlbfgs> Backtracking      1 steps, current active atoms=   193
 intlbfgs> Backtracking      1 steps, current active atoms=   193
 intlbfgs> Backtracking      1 steps, current active atoms=   194
 intlbfgs> Backtracking      1 steps, current active atoms=   196
 intlbfgs> Backtracking      2 steps, current active atoms=   196
 intlbfgs> Backtracking      2 steps, current active atoms=   200
 intlbfgs> Backtracking      3 steps, current active atoms=   200
 intlbfgs> Backtracking      4 steps, current active atoms=   198
 intlbfgs> Backtracking      2 steps, current active atoms=   196
 intlbfgs> Backtracking      2 steps, current active atoms=   196
 intlbfgs> Backtracking      2 steps, current active atoms=   198
 intlbfgs> Backtracking      3 steps, current active atoms=   202
 intlbfgs> Backtracking      4 steps, current active atoms=   200
 intlbfgs> Backtracking      4 steps, current active atoms=   201
 intlbfgs> Backtracking      5 steps, current active atoms=   198
 intlbfgs> Backtracking      1 steps, current active atoms=   196
 intlbfgs> Backtracking      2 steps, current active atoms=   200
 intlbfgs> Backtracking      3 steps, current active atoms=   199
 intlbfgs> Backtracking      4 steps, current active atoms=   197
 intlbfgs> Backtracking      1 steps, current active atoms=   194
 intlbfgs> Backtracking      1 steps, current active atoms=   197
 intlbfgs> Backtracking      2 steps, current active atoms=   198
 intlbfgs> Backtracking      3 steps, current active atoms=   197
 intlbfgs> Backtracking      2 steps, current active atoms=   197
 intlbfgs> Backtracking      3 steps, current active atoms=   197
 intlbfgs> Backtracking      2 steps, current active atoms=   199
 intlbfgs> Backtracking      3 steps, current active atoms=   201
 intlbfgs> Backtracking      4 steps, current active atoms=   199
 intlbfgs> Backtracking      3 steps, current active atoms=   201
 intlbfgs> Backtracking      4 steps, current active atoms=   199
 intlbfgs> Backtracking      3 steps, current active atoms=   201
 intlbfgs> Backtracking      4 steps, current active atoms=   213
 intlbfgs> Backtracking      5 steps, current active atoms=   212
 intlbfgs> Backtracking      6 steps, current active atoms=   208
 intlbfgs> Backtracking      7 steps, current active atoms=   210
 intlbfgs> Backtracking      8 steps, current active atoms=   218
 intlbfgs> Backtracking      9 steps, current active atoms=   212
 intlbfgs> Backtracking     10 steps, current active atoms=   204
 intlbfgs> Backtracking      2 steps, current active atoms=   195
 intlbfgs> Backtracking      1 steps, current active atoms=   195
 intlbfgs> Backtracking      2 steps, current active atoms=   206
 intlbfgs> Backtracking      3 steps, current active atoms=   206
 intlbfgs> Backtracking      4 steps, current active atoms=   214
 intlbfgs> Backtracking      5 steps, current active atoms=   211
 intlbfgs> Backtracking      6 steps, current active atoms=   213
 intlbfgs> Backtracking      7 steps, current active atoms=   213
 intlbfgs> Backtracking      8 steps, current active atoms=   208
 intlbfgs> Backtracking      8 steps, current active atoms=   208
 intlbfgs> Backtracking      8 steps, current active atoms=   201
 intlbfgs> Backtracking      1 steps, current active atoms=   196
 intlbfgs> Backtracking      2 steps, current active atoms=   196
 intlbfgs> Backtracking      2 steps, current active atoms=   198
 intlbfgs> Backtracking      3 steps, current active atoms=   197
 intlbfgs> Backtracking      2 steps, current active atoms=   195
 intlbfgs> Backtracking      1 steps, current active atoms=   197
 intlbfgs> Backtracking      2 steps, current active atoms=   203
 intlbfgs> Backtracking      3 steps, current active atoms=   202
 intlbfgs> Backtracking      4 steps, current active atoms=   204
 intlbfgs> Backtracking      5 steps, current active atoms=   202
 intlbfgs> switch on true potential at step  26720 fraction=    0.990000 images=     4 time=      12.1
 intlbfgs> Allowing     25 further optimization steps
 intlbfgs> After  26745 steps, energy/image=    -357.1028267     RMS=6.088730344     images=   4
 intlbfgs> First  minimum number      2
 intlbfgs> Second minimum number      5
 intlbfgs> DNEB for minima      2     5 dist=   38.07     Attempts, images and iterations=     0    11   385
 lbfgs> Final DNEB force constant     0.2335737168    
 Double-ended search iterations= 385 RMS= 0.0600 Dev= 4.65% S= 37.11 time= 31.52
 Following    2 images are candidates for TS:    3    8  
 Converged to TS (number of iterations):         52
 Converged to TS (number of iterations):         31
 DNEB run yielded 2 true transition state(s) time=  55.48

 >>>>>  Path run for ts 5 ...
 Plus  side of path:                    1231 steps. Energy=    -456.1881978       time=      12.50
 Minus side of path:                    1504 steps. Energy=    -455.3937659       time=      17.29

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -456.1881978  2.7436         -453.4446430  1.9491         -455.3937659  27.651  16.741  25.697   8.484
        *NEW* (Placed in 8)                                     Known (#2)
 checkperc> Increasing con cutoff atoms    26   33 from     0.17886E-02 to     0.17976E-02 ref=     2.4203    
 checkperc> Increasing con cutoff atoms    29   35 from     0.28934E-02 to     0.29590E-02 ref=     2.8544    
 checkperc> Increasing con cutoff atoms    30   35 from     0.34384E-02 to     0.34852E-02 ref=     3.9362    
 checkperc> Increasing con cutoff atoms    31   33 from     0.89100E-03 to     0.91242E-03 ref=     1.4087    
 checkperc> Increasing con cutoff atoms    37   38 from     0.73072E-02 to     0.73907E-02 ref=     2.2624    
 checkperc> Increasing con cutoff atoms    44   47 from     0.21943E-03 to     0.22165E-03 ref=     1.0903    
 checkperc> Increasing con cutoff atoms    57   58 from     0.32089E-02 to     0.35088E-02 ref=     1.7548    
 checkperc> Increasing con cutoff atoms    64   72 from     0.37648E-02 to     0.37695E-02 ref=     3.4048    
 checkperc> Increasing con cutoff atoms    76   78 from     0.30248E-02 to     0.30946E-02 ref=     1.4714    
 checkperc> Increasing con cutoff atoms    93  106 from     0.35691E-01 to     0.35863E-01 ref=     2.5684    
 checkperc> Increasing con cutoff atoms   116  118 from     0.16031E-02 to     0.17076E-02 ref=     1.0907    
 checkperc> Increasing con cutoff atoms   128  129 from     0.59644E-02 to     0.59984E-02 ref=     1.0156    
 checkperc> Increasing con cutoff atoms   135  137 from     0.13382     to     0.13545     ref=     2.8741    
 Unconnected minimum 8 found its way to F set.

 >>>>>  Path run for ts 6 ...
 Plus  side of path:                    1207 steps. Energy=    -456.1881978       time=      12.27
 Minus side of path:                    1205 steps. Energy=    -454.9304745       time=      12.31

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -456.1881978  4.6615         -451.5266895  3.4038         -454.9304745  14.922  12.787  20.168  10.809
        Known (#8)                                              Known (#5)
 Unconnected minimum 5 found its way to F set.

 tryconnect> Interpolation for minima 4_S and 7_F using 3 initial images  (interp attempt #1)  ...
 intlbfgs> Maximum number of steps for constraint potential phase is 300001
 intlbfgs> Total number of atoms moving less than threshold=   107
 intlbfgs> constrained potential finished, time=       0.0
 intlbfgs> switch on true potential at step    188 fraction=    0.990000 images=     4 time=       0.4
 intlbfgs> Allowing     25 further optimization steps
 intlbfgs> After    213 steps, energy/image=    -373.7586271     RMS=16.00850476     images=   4
 intlbfgs> First  minimum number      4
 intlbfgs> Second minimum number      7
 intlbfgs> DNEB for minima      4     7 dist=   40.08     Attempts, images and iterations=     0    12   420
 lbfgs> Final DNEB force constant     0.1659964797    
 Double-ended search iterations= 420 RMS= 0.0438 Dev= 1.03% S= 34.89 time= 37.32
 Following    1 images are candidates for TS:    7  
 Converged to TS (number of iterations):         82
 DNEB run yielded 1 true transition state(s) time=  44.94

 >>>>>  Path run for ts 7 ...
 Plus  side of path:                    1344 steps. Energy=    -452.3035812       time=      15.08
 Minus side of path:                    1216 steps. Energy=    -454.7183664       time=      13.38

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -452.3035812 0.84650         -451.4570768  3.2613         -454.7183664  35.148  30.708   3.963  55.009
        Known (#4)                                              Known (#7)
 Connected path found
  ts        E+         Ets - E+          Ets       Ets - E-          E-          S       D      gamma   ~N
   2     -451.9866998 0.24159        -451.7451099 0.55847        -452.3035812  13.773  13.449   6.326  34.463
   7     -452.3035812 0.84650        -451.4570768  3.2613        -454.7183664  35.148  30.708   3.963  55.009
   4     -454.7183664  3.1130        -451.6053771 0.85092        -452.4562929  23.783  16.818  16.146  13.502
   3     -452.4562929 0.67597        -451.7803237  3.1502        -454.9304745  38.000  33.632   2.192  99.457
   6     -454.9304745  3.4038        -451.5266895  4.6615        -456.1881978  14.922  12.787  20.168  10.809
   5     -456.1881978  2.7436        -453.4446430  1.9491        -455.3937659  27.651  16.741  25.697   8.484

 Number of TS in the path       =      6
 Number of cycles               =      5

 Elapsed time=                              1079.97
 OPTIM> # of energy calls=                         12 time=           0.09 %=  0.0
 OPTIM> # of energy+gradient calls=             73403 time=         541.62 %= 50.2
 OPTIM> # of energy+gradient+Hessian calls=       730 time=         205.89 %= 19.1
